Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich com­plex: [Na(tetra­hydro­furan)₃][V₂(anthracene)₂]

Reduction of bis­(naphthalene)­vanadium(0) by potassium naphthalene (KNp) in tetra­hydro­furan (THF) provides a highly reactive, thermolabile, and so far unisolable brown substance, which affords the first reported derivatives of bis­(naphthalene)­vanadates. From these solutions, thermally stable (298 K) and structurally characterized com­pounds have been obtained, including dark-red rods of catena-poly[bis(μ₃-η⁴:η⁶:η⁴-naphthalene)tetrakis(tetrahydrofuran)dipotassiumvanadium], [K₂V(C₄H₈O)₄(C₁₀H₈)₂]_n or [K(THF)₂]₂[V(C₁₀H₈)₂] (3), and red plates of (4,7,13,16,21,24-hexa­oxa-1,10-di­aza­bicyclo­[8.8.8]hexa­cosa­ne)po­tas­sium [1,2-bis­(di­methyl­phosphan­yl)ethane]­bis­(η⁴-naphthalene)­vanadium tetra­hydro­furan monosolvate, [K(C₁₈H₃₆N₂O₆)][V(C₁₀H₈)₂(C₆H₁₆P₂)]·C₄H₈O or [K([2.2.2]cryptand)][V(C₁₀H₈)₂(dmpe)]·THF [dmpe is 1,2-bis­(di­methyl­phos­phan­yl)ethane] (4b). Notably, [V(C₁₀H₈)₂]²⁻ is the only example of a structurally authenticated homoleptic bis­(arene)metallate dianion and was obtained by further reduction of the brown material by KNp in THF, in the presence of tri­methyl­phosphane (PMe₃). Addition of anthracene (An) to the brown mater­ial in THF afforded deep-violet and paramagnetic crystalline (1,4,7,10,13,16-hexa­oxa­cyclo­octa­deca­ne)bis­(tetra­hydro­furan)­potassium [(η⁴-an­thracene)(tetra­hydro­furan)­vanadium]-μ-η⁴:η²-anthracene-[(1,4,7,10,13,16-hexa­oxa­cyclo­octa­dec­a­ne)potassium]-μ-η²:η⁴-anthracene-[(η⁴-anthracene)(tetra­hydro­furan)­vana­dium] tetra­hydro­furan disolvate, [K(C₁₂H₂₄O₆)(C₄H₈O)₂][KV₂(C₁₂H₂₄O₆)(C₄H₈O)₂(C₁₄H₁₀)₄]·2C₄H₈O or [K(18-crown-6)][K(18-crown-6)(THF)₂][V(C₁₄H₁₀)₂(THF)]₂·2(THF) (5), which readily reacted with PMe₃ and dmpe to give new vanadate salts. These were structurally characterized as (1,4,7,10,13,16-hexa­oxa­cyclo­octa­deca­ne)bis­(tetra­hydro­furan)­potassium bis­(η⁴-anthracene)(tri­methyl­phosphane)van­a­dium tetra­hydro­furan monosolvate, [K(C₁₂H₂₄O₆)(C₄H₈O)₂][V(C₁₄H₁₀)₂(C₃H₉P)]·C₄H₈O or [K(18-crown-6)(THF)₂][V(C₁₄H₁₀)₂(PMe₃)]·THF (6), and tetra­kis­(1,2-di­meth­oxy­ethane)­potassium bis­(η⁴-anthracene)[1,2-bis­(di­methyl­phos­phan­yl)ethane]vanadium, [K(C₄H₁₀O₂)₄][V(C₁₄H₁₀)₂(C₆H₁₆P₂)] or [K(DME)₄][V(C₁₄H₁₀)₂(dmpe)] (DME is 1,2-di­meth­oxy­ethane) (7b). The last three structures contain the first known bis­(anthracene)vanadates and are thereby derivatives of the unknown bis­(anthracene)vanadium(0). Attempts to obtain the sodium salt analog of 5 in THF resulted instead in the formation of a unique substance, (μ₃-η⁶:η⁶:η⁶-an­thracene)(μ₂-η⁶:η⁶-anthracene)tris­(tetra­hydro­furan)­sodiumdivana­dium, [NaV₂(C₁₄H₁₀)₂(C₄H₈O)₃] or [Na(THF)₃][V₂(C₁₄H₁₀)₂] (8), containing the first reported dimetallabis(anthracene) sandwich com­pound.

Computing details

For all structures, data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003). Program(s) used to solve structure: SHELXS97 (Sheldrick, 2008) for (3), (4b), (5), (7b); SIR97 (Altomare et al., 1999) for (6), (8). For all structures, program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

catena-Poly[bis(µ-₃η⁴:η⁶:η⁴-naphthalene)tetrakis(tetrahydrofuran)dipotassiumvanadium] (3)

Crystal data

[K2V(C4H8O)4(C10H8)2]	F(000) = 1428
Mr = 673.88	Dx = 1.299 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 10.985 (2) Å	Cell parameters from 3155 reflections
b = 17.243 (4) Å	θ = 2.3–24.9°
c = 18.532 (4) Å	µ = 0.57 mm^−1
β = 101.014 (3)°	T = 173 K
V = 3445.5 (13) Å^3	Rod, red
Z = 4	0.50 × 0.25 × 0.20 mm

Data collection

Siemens SMART CCD platform diffractometer	4007 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.046
ω scans	θmax = 25.1°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −13→13
Tmin = 0.765, Tmax = 0.895	k = −20→20
27058 measured reflections	l = −22→22
6104 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.047	Hydrogen site location: mixed
wR(F^2) = 0.120	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0525P)^2 + 1.6694P] where P = (Fo^2 + 2Fc^2)/3
6104 reflections	(Δ/σ)max = 0.001
557 parameters	Δρmax = 0.38 e Å^−3
381 restraints	Δρmin = −0.24 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. The hydrogen atoms on the metal-coordinating carbon atoms were refined freely to confirm their nature and better describe their true positions.

THF ligand O2/C25-C28 is modeled as disordered over two positions (0.63 (1):0.37 (1) and THF ligands O3/C29-C32 and O4/C33-C36 are modeled pairwise as disordered over two positions (0.605 (5):0.395 (5)).

Analogous bond lengths and angles among the disordered THF ligands were restrained to be similar. Anisotropic displacement parameters for proximal atoms were restrained to be similar and restrained toward the expected motion relative to bond direction.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
V1	0.60377 (5)	0.46032 (3)	0.26181 (3)	0.04505 (16)
K1	0.89151 (6)	0.53261 (4)	0.23117 (4)	0.0515 (2)
K2	0.51676 (7)	0.72934 (4)	0.34219 (5)	0.0631 (2)
O1	1.0749 (2)	0.47831 (16)	0.34131 (14)	0.0802 (8)
C1	0.5698 (3)	0.58844 (17)	0.2404 (2)	0.0475 (8)
H1A	0.532 (2)	0.6054 (16)	0.1984 (15)	0.036 (8)*
C2	0.5014 (3)	0.55658 (18)	0.2926 (2)	0.0545 (9)
H2A	0.414 (3)	0.5553 (15)	0.2846 (14)	0.043 (8)*
C3	0.5707 (4)	0.5259 (2)	0.3554 (2)	0.0622 (10)
H3A	0.538 (3)	0.5036 (17)	0.3935 (16)	0.052 (9)*
C4	0.7038 (3)	0.5283 (2)	0.36138 (19)	0.0569 (9)
H4A	0.751 (3)	0.5050 (19)	0.4024 (17)	0.062 (10)*
C5	0.8663 (3)	0.63372 (19)	0.36505 (18)	0.0610 (9)
H5A	0.913066	0.615032	0.410173	0.073*
C6	0.9119 (3)	0.6962 (2)	0.3288 (2)	0.0639 (9)
H6A	0.990652	0.717916	0.348691	0.077*
C7	0.8444 (3)	0.72529 (18)	0.2662 (2)	0.0588 (9)
H7A	0.876482	0.766749	0.241724	0.071*
C8	0.7285 (3)	0.69490 (16)	0.23752 (18)	0.0497 (8)
H8A	0.679141	0.718337	0.195488	0.060*
C9	0.6831 (3)	0.63054 (15)	0.26935 (17)	0.0438 (7)
C10	0.7537 (3)	0.59936 (17)	0.33517 (17)	0.0489 (8)
C11	0.5071 (3)	0.40996 (18)	0.15909 (19)	0.0496 (8)
H11A	0.465 (2)	0.4385 (16)	0.1198 (14)	0.039 (8)*
C12	0.4510 (3)	0.38680 (18)	0.2191 (2)	0.0544 (9)
H12A	0.362 (3)	0.4005 (17)	0.2165 (16)	0.058 (9)*
C13	0.5250 (4)	0.3507 (2)	0.2808 (2)	0.0660 (10)
H13A	0.487 (3)	0.338 (2)	0.3184 (18)	0.071 (11)*
C14	0.6520 (4)	0.33763 (19)	0.2823 (2)	0.0682 (10)
H14A	0.698 (3)	0.3187 (19)	0.3267 (18)	0.067 (11)*
C15	0.8399 (3)	0.35185 (19)	0.2242 (3)	0.0749 (11)
H15A	0.890613	0.328091	0.265561	0.090*
C16	0.8943 (3)	0.3750 (2)	0.1675 (3)	0.0767 (12)
H16A	0.979944	0.365644	0.169020	0.092*
C17	0.8234 (3)	0.4124 (2)	0.1076 (2)	0.0670 (10)
H17A	0.860791	0.428960	0.068062	0.080*
C18	0.6991 (3)	0.42570 (19)	0.10516 (19)	0.0571 (8)
H18A	0.653396	0.453405	0.064535	0.069*
C19	0.6367 (3)	0.39973 (16)	0.16074 (17)	0.0462 (7)
C20	0.7114 (3)	0.36129 (16)	0.2248 (2)	0.0557 (9)
C21	1.0407 (4)	0.4390 (3)	0.4016 (2)	0.0970 (14)
H21A	0.952829	0.422615	0.389396	0.116*
H21B	1.051782	0.473283	0.445266	0.116*
C22	1.1208 (6)	0.3725 (3)	0.4160 (3)	0.1160 (18)
H22A	1.086642	0.327837	0.385033	0.139*
H22B	1.133605	0.357110	0.468384	0.139*
C23	1.2384 (4)	0.4007 (3)	0.3962 (3)	0.1117 (17)
H23A	1.286676	0.357349	0.380660	0.134*
H23B	1.290423	0.428246	0.437872	0.134*
C24	1.1931 (4)	0.4546 (3)	0.3338 (3)	0.0910 (13)
H24A	1.249070	0.499875	0.335794	0.109*
H24B	1.189698	0.427776	0.286212	0.109*
O2	1.0782 (10)	0.5714 (7)	0.1649 (8)	0.077 (4)	0.628 (11)
C25	1.1445 (11)	0.6423 (6)	0.1751 (7)	0.089 (3)	0.628 (11)
H25A	1.196309	0.644788	0.225009	0.107*	0.628 (11)
H25B	1.086505	0.686833	0.168724	0.107*	0.628 (11)
C26	1.2256 (7)	0.6442 (4)	0.1171 (6)	0.085 (3)	0.628 (11)
H26A	1.181898	0.669125	0.071303	0.102*	0.628 (11)
H26B	1.304246	0.672067	0.135197	0.102*	0.628 (11)
C27	1.2479 (10)	0.5612 (6)	0.1054 (6)	0.066 (2)	0.628 (11)
H27A	1.323111	0.542914	0.139373	0.079*	0.628 (11)
H27B	1.257945	0.551530	0.054154	0.079*	0.628 (11)
C28	1.1347 (12)	0.5218 (6)	0.1208 (9)	0.071 (3)	0.628 (11)
H28A	1.076603	0.510605	0.074238	0.085*	0.628 (11)
H28B	1.157562	0.472195	0.146758	0.085*	0.628 (11)
O2'	1.0493 (15)	0.5847 (11)	0.1508 (12)	0.062 (4)	0.372 (11)
C25'	1.1012 (13)	0.6599 (10)	0.1630 (13)	0.084 (4)	0.372 (11)
H25C	1.075843	0.684844	0.205892	0.101*	0.372 (11)
H25D	1.075714	0.693231	0.119217	0.101*	0.372 (11)
C26'	1.2389 (10)	0.6449 (6)	0.1772 (10)	0.073 (4)	0.372 (11)
H26C	1.284395	0.689728	0.162031	0.087*	0.372 (11)
H26D	1.270876	0.633921	0.229895	0.087*	0.372 (11)
C27'	1.2501 (15)	0.5762 (10)	0.1314 (12)	0.073 (4)	0.372 (11)
H27C	1.307517	0.537811	0.159423	0.088*	0.372 (11)
H27D	1.282236	0.591282	0.087006	0.088*	0.372 (11)
C28'	1.1218 (18)	0.5422 (11)	0.1101 (14)	0.068 (5)	0.372 (11)
H28C	1.089952	0.548266	0.056662	0.082*	0.372 (11)
H28D	1.121993	0.486447	0.122717	0.082*	0.372 (11)
O3	0.3573 (4)	0.6626 (3)	0.4086 (3)	0.0710 (14)	0.604 (5)
C29	0.2338 (5)	0.6844 (4)	0.4020 (3)	0.075 (2)	0.604 (5)
H29A	0.180861	0.653229	0.363294	0.090*	0.604 (5)
H29B	0.223405	0.739839	0.388463	0.090*	0.604 (5)
C30	0.1983 (8)	0.6705 (7)	0.4739 (5)	0.092 (4)	0.604 (5)
H30A	0.145922	0.623610	0.472332	0.110*	0.604 (5)
H30B	0.152348	0.715465	0.488529	0.110*	0.604 (5)
C31	0.3186 (7)	0.6598 (5)	0.5258 (4)	0.084 (2)	0.604 (5)
H31A	0.350566	0.709832	0.547906	0.100*	0.604 (5)
H31B	0.309760	0.623139	0.565632	0.100*	0.604 (5)
C32	0.4003 (9)	0.6281 (7)	0.4791 (7)	0.082 (3)	0.604 (5)
H32A	0.487790	0.642278	0.498436	0.099*	0.604 (5)
H32B	0.393513	0.570884	0.476172	0.099*	0.604 (5)
O3'	0.3946 (8)	0.6921 (4)	0.4571 (6)	0.095 (3)	0.396 (5)
C29'	0.3557 (13)	0.6183 (8)	0.4831 (11)	0.078 (4)	0.396 (5)
H29C	0.368153	0.575811	0.449358	0.094*	0.396 (5)
H29D	0.403299	0.606444	0.532818	0.094*	0.396 (5)
C30'	0.2248 (13)	0.6279 (7)	0.4847 (11)	0.104 (5)	0.396 (5)
H30C	0.203072	0.600588	0.527470	0.125*	0.396 (5)
H30D	0.172900	0.607138	0.439201	0.125*	0.396 (5)
C31'	0.2058 (13)	0.7140 (7)	0.4906 (11)	0.098 (5)	0.396 (5)
H31C	0.144162	0.733235	0.448250	0.118*	0.396 (5)
H31D	0.176879	0.726932	0.536562	0.118*	0.396 (5)
C32'	0.3261 (13)	0.7472 (6)	0.4906 (10)	0.146 (7)	0.396 (5)
H32C	0.317622	0.796429	0.462536	0.175*	0.396 (5)
H32D	0.369103	0.758135	0.541548	0.175*	0.396 (5)
O4	0.6532 (10)	0.7695 (8)	0.4719 (5)	0.081 (3)	0.604 (5)
C33	0.5826 (8)	0.8098 (4)	0.5175 (4)	0.074 (2)	0.604 (5)
H33A	0.573565	0.777578	0.560354	0.089*	0.604 (5)
H33B	0.498894	0.822341	0.489385	0.089*	0.604 (5)
C34	0.6511 (8)	0.8813 (4)	0.5419 (4)	0.082 (2)	0.604 (5)
H34A	0.645012	0.894396	0.593078	0.098*	0.604 (5)
H34B	0.619777	0.925516	0.509480	0.098*	0.604 (5)
C35	0.7822 (12)	0.8614 (8)	0.5362 (7)	0.113 (4)	0.604 (5)
H35A	0.830387	0.908482	0.529361	0.135*	0.604 (5)
H35B	0.824942	0.833137	0.580330	0.135*	0.604 (5)
C36	0.7641 (12)	0.8116 (8)	0.4706 (7)	0.092 (3)	0.604 (5)
H36A	0.755470	0.843387	0.425357	0.110*	0.604 (5)
H36B	0.835180	0.775876	0.472453	0.110*	0.604 (5)
O4'	0.6862 (15)	0.7764 (13)	0.4608 (8)	0.086 (4)	0.396 (5)
C33'	0.6584 (12)	0.8078 (9)	0.5278 (8)	0.096 (4)	0.396 (5)
H33C	0.646994	0.764953	0.561446	0.115*	0.396 (5)
H33D	0.580126	0.837739	0.516681	0.115*	0.396 (5)
C34'	0.7586 (19)	0.8581 (11)	0.5633 (8)	0.095 (5)	0.396 (5)
H34C	0.815621	0.830298	0.602714	0.114*	0.396 (5)
H34D	0.726068	0.904743	0.584278	0.114*	0.396 (5)
C35'	0.8203 (18)	0.8784 (11)	0.5026 (8)	0.148 (6)	0.396 (5)
H35C	0.786849	0.927703	0.479668	0.177*	0.396 (5)
H35D	0.910597	0.884500	0.520645	0.177*	0.396 (5)
C36'	0.796 (2)	0.8156 (14)	0.4500 (12)	0.103 (5)	0.396 (5)
H36C	0.784882	0.836368	0.399278	0.124*	0.396 (5)
H36D	0.867413	0.779209	0.457402	0.124*	0.396 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.0455 (3)	0.0338 (3)	0.0565 (3)	−0.0086 (2)	0.0115 (2)	0.0009 (2)
K1	0.0487 (4)	0.0441 (4)	0.0645 (5)	−0.0022 (3)	0.0179 (3)	−0.0012 (3)
K2	0.0664 (5)	0.0341 (4)	0.0940 (6)	−0.0006 (3)	0.0288 (4)	−0.0033 (4)
O1	0.0587 (16)	0.100 (2)	0.0837 (18)	0.0123 (14)	0.0191 (13)	0.0284 (15)
C1	0.0447 (19)	0.0376 (17)	0.060 (2)	−0.0010 (14)	0.0096 (16)	0.0006 (16)
C2	0.045 (2)	0.0440 (18)	0.080 (3)	−0.0138 (15)	0.0267 (18)	−0.0123 (17)
C3	0.079 (3)	0.056 (2)	0.059 (2)	−0.0249 (19)	0.033 (2)	−0.0061 (18)
C4	0.065 (2)	0.054 (2)	0.051 (2)	−0.0161 (17)	0.0095 (18)	0.0043 (17)
C5	0.066 (2)	0.060 (2)	0.055 (2)	−0.0162 (18)	0.0061 (17)	−0.0104 (17)
C6	0.059 (2)	0.056 (2)	0.077 (3)	−0.0248 (18)	0.0119 (19)	−0.0100 (19)
C7	0.062 (2)	0.0403 (18)	0.079 (2)	−0.0133 (16)	0.0241 (19)	−0.0014 (17)
C8	0.0483 (19)	0.0341 (16)	0.070 (2)	0.0000 (14)	0.0195 (16)	0.0006 (15)
C9	0.0446 (17)	0.0318 (15)	0.059 (2)	−0.0048 (13)	0.0214 (15)	−0.0100 (14)
C10	0.056 (2)	0.0444 (17)	0.0495 (18)	−0.0118 (15)	0.0175 (15)	−0.0103 (15)
C11	0.049 (2)	0.0357 (17)	0.062 (2)	0.0001 (14)	0.0061 (17)	−0.0047 (16)
C12	0.047 (2)	0.0384 (17)	0.080 (3)	−0.0116 (15)	0.0168 (18)	−0.0129 (17)
C13	0.074 (3)	0.048 (2)	0.079 (3)	−0.0250 (19)	0.023 (2)	0.0017 (19)
C14	0.069 (3)	0.0408 (19)	0.089 (3)	−0.0083 (18)	0.000 (2)	0.0233 (19)
C15	0.053 (2)	0.0324 (18)	0.132 (4)	0.0077 (16)	−0.001 (2)	0.013 (2)
C16	0.051 (2)	0.0359 (19)	0.147 (4)	0.0028 (17)	0.029 (3)	−0.013 (2)
C17	0.061 (2)	0.054 (2)	0.094 (3)	−0.0091 (18)	0.034 (2)	−0.026 (2)
C18	0.059 (2)	0.0510 (19)	0.063 (2)	−0.0050 (16)	0.0154 (17)	−0.0143 (16)
C19	0.0444 (18)	0.0276 (15)	0.067 (2)	−0.0023 (13)	0.0104 (15)	−0.0113 (14)
C20	0.048 (2)	0.0264 (15)	0.088 (3)	−0.0009 (14)	0.0032 (18)	0.0067 (16)
C21	0.101 (3)	0.111 (4)	0.088 (3)	0.011 (3)	0.041 (3)	0.019 (3)
C22	0.168 (5)	0.099 (4)	0.089 (3)	0.026 (4)	0.046 (3)	0.026 (3)
C23	0.075 (3)	0.099 (4)	0.148 (5)	0.029 (3)	−0.011 (3)	0.006 (3)
C24	0.061 (2)	0.104 (3)	0.115 (3)	0.009 (2)	0.035 (2)	0.007 (3)
O2	0.076 (6)	0.063 (4)	0.103 (7)	−0.010 (4)	0.049 (6)	−0.001 (4)
C25	0.072 (8)	0.064 (5)	0.136 (7)	−0.002 (5)	0.033 (6)	−0.025 (5)
C26	0.073 (4)	0.063 (4)	0.122 (7)	−0.011 (3)	0.028 (5)	0.022 (5)
C27	0.058 (4)	0.078 (5)	0.064 (6)	−0.012 (4)	0.018 (4)	−0.010 (4)
C28	0.074 (5)	0.046 (5)	0.103 (7)	0.003 (4)	0.041 (5)	0.012 (4)
O2'	0.054 (6)	0.056 (7)	0.077 (7)	−0.011 (5)	0.013 (5)	0.000 (5)
C25'	0.053 (7)	0.043 (7)	0.156 (11)	−0.001 (6)	0.021 (8)	0.009 (6)
C26'	0.054 (6)	0.044 (5)	0.118 (9)	−0.003 (5)	0.012 (7)	0.002 (6)
C27'	0.049 (6)	0.086 (9)	0.084 (13)	−0.004 (6)	0.012 (7)	−0.010 (7)
C28'	0.065 (7)	0.054 (10)	0.087 (9)	−0.015 (7)	0.018 (6)	−0.001 (9)
O3	0.069 (3)	0.072 (3)	0.077 (3)	0.014 (2)	0.028 (2)	0.016 (3)
C29	0.063 (4)	0.091 (5)	0.073 (4)	0.029 (3)	0.023 (3)	0.022 (3)
C30	0.067 (4)	0.124 (11)	0.086 (5)	0.005 (6)	0.019 (4)	0.006 (8)
C31	0.095 (5)	0.088 (5)	0.068 (4)	−0.005 (4)	0.016 (3)	0.008 (4)
C32	0.079 (6)	0.080 (6)	0.089 (5)	0.016 (5)	0.016 (5)	0.028 (4)
O3'	0.104 (6)	0.061 (4)	0.139 (7)	0.006 (4)	0.068 (5)	0.004 (5)
C29'	0.097 (8)	0.052 (5)	0.085 (8)	0.018 (6)	0.017 (7)	−0.003 (5)
C30'	0.090 (8)	0.101 (10)	0.124 (11)	−0.009 (7)	0.030 (8)	0.004 (9)
C31'	0.086 (7)	0.107 (11)	0.100 (10)	0.043 (7)	0.014 (7)	0.012 (9)
C32'	0.168 (11)	0.058 (6)	0.253 (18)	0.026 (7)	0.145 (13)	0.025 (8)
O4	0.116 (5)	0.059 (4)	0.069 (5)	0.001 (4)	0.020 (4)	−0.006 (3)
C33	0.093 (6)	0.061 (4)	0.065 (4)	−0.005 (4)	0.007 (4)	−0.005 (3)
C34	0.119 (6)	0.058 (4)	0.065 (4)	−0.016 (4)	0.010 (4)	0.002 (3)
C35	0.119 (6)	0.124 (7)	0.099 (9)	−0.049 (5)	0.029 (7)	−0.013 (7)
C36	0.100 (8)	0.086 (6)	0.089 (7)	0.013 (5)	0.016 (5)	0.007 (5)
O4'	0.126 (10)	0.066 (7)	0.067 (6)	−0.002 (6)	0.022 (7)	−0.004 (5)
C33'	0.100 (9)	0.103 (9)	0.085 (8)	−0.002 (8)	0.022 (8)	−0.015 (7)
C34'	0.119 (11)	0.077 (8)	0.086 (9)	−0.012 (7)	0.016 (8)	−0.010 (7)
C35'	0.199 (13)	0.152 (11)	0.096 (11)	−0.092 (10)	0.039 (9)	−0.020 (8)
C36'	0.113 (11)	0.102 (9)	0.101 (11)	0.005 (8)	0.035 (7)	−0.011 (8)

Geometric parameters (Å, º)

V1—C12	2.131 (3)	C22—H22B	0.9900
V1—C13	2.136 (3)	C23—C24	1.493 (6)
V1—C2	2.142 (3)	C23—H23A	0.9900
V1—C3	2.159 (3)	C23—H23B	0.9900
V1—C11	2.176 (3)	C24—H24A	0.9900
V1—C14	2.196 (4)	C24—H24B	0.9900
V1—C19	2.234 (3)	O2—C28	1.405 (8)
V1—C20	2.257 (3)	O2—C25	1.419 (9)
V1—C1	2.263 (3)	C25—C26	1.521 (11)
V1—C4	2.283 (3)	C25—H25A	0.9900
V1—K1	3.5429 (10)	C25—H25B	0.9900
K1—O2'	2.648 (11)	C26—C27	1.475 (10)
K1—O2	2.669 (7)	C26—H26A	0.9900
K1—O1	2.744 (3)	C26—H26B	0.9900
K1—C10	2.906 (3)	C27—C28	1.492 (10)
K1—C16	2.965 (3)	C27—H27A	0.9900
K1—C9	3.035 (3)	C27—H27B	0.9900
K1—C17	3.073 (3)	C28—H28A	0.9900
K1—C5	3.088 (3)	C28—H28B	0.9900
K1—C15	3.166 (3)	O2'—C28'	1.403 (12)
K1—C6	3.336 (3)	O2'—C25'	1.417 (12)
K1—C8	3.337 (3)	C25'—C26'	1.508 (13)
K1—C18	3.381 (3)	C25'—H25C	0.9900
K1—C7	3.443 (3)	C25'—H25D	0.9900
K1—C4	3.462 (3)	C26'—C27'	1.477 (13)
K2—O3	2.595 (4)	C26'—H26C	0.9900
K2—O4	2.670 (8)	C26'—H26D	0.9900
K2—O4'	2.718 (12)	C27'—C28'	1.507 (14)
K2—O3'	2.800 (8)	C27'—H27C	0.9900
K2—C12^i	2.990 (3)	C27'—H27D	0.9900
K2—C9	3.001 (3)	C28'—H28C	0.9900
K2—C13^i	3.064 (4)	C28'—H28D	0.9900
K2—C2	3.112 (3)	O3—C29	1.390 (6)
K2—C11^i	3.125 (3)	O3—C32	1.431 (10)
K2—C1	3.197 (3)	C29—C30	1.479 (10)
K2—C14^i	3.257 (4)	C29—H29A	0.9900
K2—C8	3.354 (3)	C29—H29B	0.9900
K2—C19^i	3.382 (3)	C30—C31	1.490 (11)
K2—C20^i	3.436 (3)	C30—H30A	0.9900
K2—C10	3.456 (3)	C30—H30B	0.9900
O1—C24	1.394 (4)	C31—C32	1.467 (11)
O1—C21	1.418 (4)	C31—H31A	0.9900
C1—C2	1.442 (4)	C31—H31B	0.9900
C1—C9	1.453 (4)	C32—H32A	0.9900
C1—H1A	0.86 (3)	C32—H32B	0.9900
C2—C3	1.370 (5)	O3'—C32'	1.426 (10)
C2—H2A	0.95 (3)	O3'—C29'	1.454 (12)
C3—C4	1.445 (5)	C29'—C30'	1.453 (13)
C3—H3A	0.94 (3)	C29'—H29C	0.9900
C4—C10	1.462 (4)	C29'—H29D	0.9900
C4—H4A	0.93 (3)	C30'—C31'	1.507 (14)
C5—C10	1.388 (4)	C30'—H30C	0.9900
C5—C6	1.410 (5)	C30'—H30D	0.9900
C5—H5A	0.9500	C31'—C32'	1.440 (13)
C6—C7	1.349 (5)	C31'—H31C	0.9900
C6—H6A	0.9500	C31'—H31D	0.9900
C7—C8	1.386 (4)	C32'—H32C	0.9900
C7—H7A	0.9500	C32'—H32D	0.9900
C8—C9	1.393 (4)	O4—C36	1.423 (9)
C8—H8A	0.9500	O4—C33	1.432 (9)
C9—C10	1.420 (4)	C33—C34	1.470 (9)
C11—C12	1.427 (5)	C33—H33A	0.9900
C11—C19	1.429 (4)	C33—H33B	0.9900
C11—H11A	0.93 (3)	C34—C35	1.504 (14)
C12—C13	1.415 (5)	C34—H34A	0.9900
C12—H12A	1.00 (3)	C34—H34B	0.9900
C13—C14	1.408 (5)	C35—C36	1.471 (11)
C13—H13A	0.90 (3)	C35—H35A	0.9900
C14—C20	1.411 (5)	C35—H35B	0.9900
C14—H14A	0.94 (3)	C36—H36A	0.9900
C15—C16	1.364 (5)	C36—H36B	0.9900
C15—C20	1.424 (5)	O4'—C36'	1.435 (12)
C15—H15A	0.9500	O4'—C33'	1.440 (12)
C16—C17	1.387 (5)	C33'—C34'	1.456 (13)
C16—H16A	0.9500	C33'—H33C	0.9900
C17—C18	1.377 (5)	C33'—H33D	0.9900
C17—H17A	0.9500	C34'—C35'	1.462 (16)
C18—C19	1.415 (4)	C34'—H34C	0.9900
C18—H18A	0.9500	C34'—H34D	0.9900
C19—C20	1.466 (4)	C35'—C36'	1.447 (13)
C21—C22	1.440 (6)	C35'—H35C	0.9900
C21—H21A	0.9900	C35'—H35D	0.9900
C21—H21B	0.9900	C36'—H36C	0.9900
C22—C23	1.490 (7)	C36'—H36D	0.9900
C22—H22A	0.9900
C12—V1—C13	38.74 (13)	C6—C7—H7A	119.9
C12—V1—C2	98.27 (13)	C8—C7—H7A	119.9
C13—V1—C2	113.07 (15)	K1—C7—H7A	123.6
C12—V1—C3	111.62 (13)	C7—C8—C9	121.0 (3)
C13—V1—C3	101.24 (15)	C7—C8—K1	82.56 (19)
C2—V1—C3	37.13 (13)	C9—C8—K1	65.44 (16)
C12—V1—C11	38.69 (12)	C7—C8—K2	113.5 (2)
C13—V1—C11	69.26 (14)	C9—C8—K2	63.43 (15)
C2—V1—C11	110.44 (14)	K1—C8—K2	127.24 (9)
C3—V1—C11	141.56 (14)	C7—C8—H8A	119.5
C12—V1—C14	68.76 (14)	C9—C8—H8A	119.5
C13—V1—C14	37.89 (14)	K1—C8—H8A	123.6
C2—V1—C14	145.26 (14)	K2—C8—H8A	92.8
C3—V1—C14	115.95 (16)	C8—C9—C10	119.0 (3)
C11—V1—C14	80.08 (14)	C8—C9—C1	126.3 (3)
C12—V1—C19	69.66 (12)	C10—C9—C1	114.6 (3)
C13—V1—C19	81.95 (14)	C8—C9—K2	92.05 (17)
C2—V1—C19	139.74 (13)	C10—C9—K2	96.18 (18)
C3—V1—C19	176.25 (13)	C1—C9—K2	84.09 (17)
C11—V1—C19	37.79 (11)	C8—C9—K1	89.89 (17)
C14—V1—C19	67.78 (14)	C10—C9—K1	71.19 (16)
C12—V1—C20	81.83 (12)	C1—C9—K1	105.51 (17)
C13—V1—C20	68.45 (14)	K2—C9—K1	166.39 (12)
C2—V1—C20	177.63 (14)	C5—C10—C9	118.7 (3)
C3—V1—C20	144.95 (15)	C5—C10—C4	126.0 (3)
C11—V1—C20	68.19 (12)	C9—C10—C4	115.1 (3)
C14—V1—C20	36.92 (13)	C5—C10—K1	84.02 (19)
C19—V1—C20	38.11 (11)	C9—C10—K1	81.27 (16)
C12—V1—C1	115.07 (13)	C4—C10—K1	99.47 (19)
C13—V1—C1	146.56 (14)	C5—C10—K2	109.2 (2)
C2—V1—C1	38.09 (11)	C9—C10—K2	59.71 (16)
C3—V1—C1	65.31 (14)	C4—C10—K2	101.4 (2)
C11—V1—C1	101.52 (13)	K1—C10—K2	140.65 (11)
C14—V1—C1	175.55 (13)	C12—C11—C19	121.7 (3)
C19—V1—C1	110.94 (12)	C12—C11—V1	68.98 (19)
C20—V1—C1	139.81 (12)	C19—C11—V1	73.31 (18)
C12—V1—C4	145.98 (13)	C12—C11—K2^ii	71.28 (17)
C13—V1—C4	117.94 (14)	C19—C11—K2^ii	87.64 (17)
C2—V1—C4	65.32 (14)	V1—C11—K2^ii	115.51 (14)
C3—V1—C4	37.84 (13)	C12—C11—H11A	122.2 (17)
C11—V1—C4	172.43 (13)	C19—C11—H11A	115.5 (17)
C14—V1—C4	107.01 (15)	V1—C11—H11A	124.3 (17)
C19—V1—C4	142.01 (12)	K2^ii—C11—H11A	119.6 (17)
C20—V1—C4	115.81 (13)	C13—C12—C11	119.1 (3)
C1—V1—C4	71.21 (13)	C13—C12—V1	70.82 (19)
C12—V1—K1	144.39 (9)	C11—C12—V1	72.32 (18)
C13—V1—K1	137.70 (12)	C13—C12—K2^ii	79.4 (2)
C2—V1—K1	107.44 (9)	C11—C12—K2^ii	81.84 (18)
C3—V1—K1	103.70 (9)	V1—C12—K2^ii	122.62 (14)
C11—V1—K1	107.55 (9)	C13—C12—H12A	123.3 (17)
C14—V1—K1	100.00 (11)	C11—C12—H12A	117.5 (17)
C19—V1—K1	74.81 (8)	V1—C12—H12A	124.9 (17)
C20—V1—K1	71.49 (8)	K2^ii—C12—H12A	112.5 (17)
C1—V1—K1	75.57 (8)	C14—C13—C12	120.0 (4)
C4—V1—K1	69.06 (9)	C14—C13—V1	73.4 (2)
O2'—K1—O1	93.9 (5)	C12—C13—V1	70.45 (19)
O2—K1—O1	84.7 (3)	C14—C13—K2^ii	84.9 (2)
O2'—K1—C10	135.9 (5)	C12—C13—K2^ii	73.6 (2)
O2—K1—C10	138.5 (3)	V1—C13—K2^ii	119.29 (17)
O1—K1—C10	92.48 (9)	C14—C13—H13A	123 (2)
O2'—K1—C16	91.7 (5)	C12—C13—H13A	117 (2)
O2—K1—C16	88.8 (3)	V1—C13—H13A	127 (2)
O1—K1—C16	85.50 (11)	K2^ii—C13—H13A	112 (2)
C10—K1—C16	132.31 (10)	C13—C14—C20	122.6 (4)
O2'—K1—C9	123.1 (5)	C13—C14—V1	68.8 (2)
O2—K1—C9	130.4 (3)	C20—C14—V1	73.87 (19)
O1—K1—C9	119.71 (8)	C13—C14—K2^ii	69.6 (2)
C10—K1—C9	27.55 (8)	C20—C14—K2^ii	85.1 (2)
C16—K1—C9	131.93 (9)	V1—C14—K2^ii	110.14 (15)
O2'—K1—C17	84.4 (5)	C13—C14—H14A	116 (2)
O2—K1—C17	85.7 (3)	C20—C14—H14A	121 (2)
O1—K1—C17	111.34 (10)	V1—C14—H14A	124 (2)
C10—K1—C17	132.66 (9)	K2^ii—C14—H14A	124 (2)
C16—K1—C17	26.49 (10)	C16—C15—C20	123.6 (4)
C9—K1—C17	117.50 (9)	C16—C15—K1	69.00 (19)
O2'—K1—C5	115.4 (5)	C20—C15—K1	93.28 (18)
O2—K1—C5	115.0 (3)	C16—C15—H15A	118.2
O1—K1—C5	76.15 (9)	C20—C15—H15A	118.2
C10—K1—C5	26.57 (8)	K1—C15—H15A	108.6
C16—K1—C5	147.84 (12)	C15—C16—C17	119.4 (3)
C9—K1—C5	46.46 (9)	C15—C16—K1	85.6 (2)
C17—K1—C5	158.92 (9)	C17—C16—K1	81.1 (2)
O2'—K1—C15	116.2 (5)	C15—C16—H16A	120.3
O2—K1—C15	112.0 (3)	C17—C16—H16A	120.3
O1—K1—C15	78.16 (9)	K1—C16—H16A	103.3
C10—K1—C15	107.76 (10)	C18—C17—C16	120.4 (4)
C16—K1—C15	25.43 (10)	C18—C17—K1	90.6 (2)
C9—K1—C15	114.84 (9)	C16—C17—K1	72.4 (2)
C17—K1—C15	44.72 (11)	C18—C17—H17A	119.8
C5—K1—C15	123.08 (11)	C16—C17—H17A	119.8
O2'—K1—C6	92.0 (5)	K1—C17—H17A	107.0
O2—K1—C6	93.5 (3)	C17—C18—C19	122.6 (3)
O1—K1—C6	85.48 (9)	C17—C18—K1	65.33 (18)
C10—K1—C6	45.15 (8)	C19—C18—K1	89.75 (18)
C16—K1—C6	170.46 (12)	C17—C18—H18A	118.7
C9—K1—C6	51.57 (8)	C19—C18—H18A	118.7
C17—K1—C6	162.96 (11)	K1—C18—H18A	116.0
C5—K1—C6	24.98 (8)	C18—C19—C11	124.4 (3)
C15—K1—C6	147.94 (11)	C18—C19—C20	117.3 (3)
O2'—K1—C8	98.6 (5)	C11—C19—C20	118.3 (3)
O2—K1—C8	105.7 (3)	C18—C19—V1	129.9 (2)
O1—K1—C8	125.63 (8)	C11—C19—V1	68.90 (18)
C10—K1—C8	45.03 (8)	C20—C19—V1	71.80 (18)
C16—K1—C8	146.00 (10)	C18—C19—K2^ii	124.93 (19)
C9—K1—C8	24.67 (7)	C11—C19—K2^ii	67.39 (16)
C17—K1—C8	122.40 (10)	C20—C19—K2^ii	79.65 (16)
C5—K1—C8	50.73 (9)	V1—C19—K2^ii	105.06 (11)
C15—K1—C8	137.22 (9)	C14—C20—C15	125.1 (3)
C6—K1—C8	41.63 (9)	C14—C20—C19	118.3 (3)
O2'—K1—C18	100.7 (5)	C15—C20—C19	116.6 (3)
O2—K1—C18	104.6 (3)	C14—C20—V1	69.2 (2)
O1—K1—C18	126.94 (9)	C15—C20—V1	131.8 (2)
C10—K1—C18	109.74 (8)	C19—C20—V1	70.09 (16)
C16—K1—C18	43.79 (10)	C14—C20—K2^ii	70.8 (2)
C9—K1—C18	93.70 (8)	C15—C20—K2^ii	125.3 (2)
C17—K1—C18	24.02 (8)	C19—C20—K2^ii	75.54 (16)
C5—K1—C18	136.27 (9)	V1—C20—K2^ii	102.87 (11)
C15—K1—C18	49.59 (10)	O1—C21—C22	106.4 (4)
C6—K1—C18	143.52 (9)	O1—C21—H21A	110.4
C8—K1—C18	102.28 (8)	C22—C21—H21A	110.4
O2'—K1—C7	85.2 (5)	O1—C21—H21B	110.4
O2—K1—C7	90.1 (3)	C22—C21—H21B	110.4
O1—K1—C7	107.71 (9)	H21A—C21—H21B	108.6
C10—K1—C7	51.44 (8)	C21—C22—C23	102.8 (4)
C16—K1—C7	166.59 (12)	C21—C22—H22A	111.2
C9—K1—C7	43.28 (7)	C23—C22—H22A	111.2
C17—K1—C7	140.11 (10)	C21—C22—H22B	111.2
C5—K1—C7	42.59 (9)	C23—C22—H22B	111.2
C15—K1—C7	157.73 (10)	H22A—C22—H22B	109.1
C6—K1—C7	22.88 (8)	C22—C23—C24	102.6 (4)
C8—K1—C7	23.53 (7)	C22—C23—H23A	111.3
C18—K1—C7	124.04 (9)	C24—C23—H23A	111.3
O2'—K1—C4	160.1 (5)	C22—C23—H23B	111.3
O2—K1—C4	159.8 (3)	C24—C23—H23B	111.3
O1—K1—C4	85.68 (9)	H23A—C23—H23B	109.2
C10—K1—C4	24.62 (8)	O1—C24—C23	106.5 (4)
C16—K1—C4	108.10 (10)	O1—C24—H24A	110.4
C9—K1—C4	43.36 (8)	C23—C24—H24A	110.4
C17—K1—C4	114.35 (9)	O1—C24—H24B	110.4
C5—K1—C4	45.18 (8)	C23—C24—H24B	110.4
C15—K1—C4	83.21 (10)	H24A—C24—H24B	108.6
C6—K1—C4	68.09 (8)	C28—O2—C25	109.2 (6)
C8—K1—C4	66.29 (8)	C28—O2—K1	125.4 (8)
C18—K1—C4	95.32 (8)	C25—O2—K1	125.1 (7)
C7—K1—C4	75.99 (8)	O2—C25—C26	106.2 (7)
O2'—K1—V1	155.4 (5)	O2—C25—H25A	110.5
O2—K1—V1	161.7 (3)	C26—C25—H25A	110.5
O1—K1—V1	108.14 (6)	O2—C25—H25B	110.5
C10—K1—V1	55.90 (6)	C26—C25—H25B	110.5
C16—K1—V1	79.55 (8)	H25A—C25—H25B	108.7
C9—K1—V1	54.74 (5)	C27—C26—C25	102.7 (6)
C17—K1—V1	77.55 (7)	C27—C26—H26A	111.2
C5—K1—V1	81.39 (6)	C25—C26—H26A	111.2
C15—K1—V1	60.13 (7)	C27—C26—H26B	111.2
C6—K1—V1	100.37 (6)	C25—C26—H26B	111.2
C8—K1—V1	77.76 (5)	H26A—C26—H26B	109.1
C18—K1—V1	57.30 (6)	C26—C27—C28	104.1 (7)
C7—K1—V1	97.96 (6)	C26—C27—H27A	110.9
C4—K1—V1	38.03 (6)	C28—C27—H27A	110.9
O3—K2—O4	90.1 (3)	C26—C27—H27B	110.9
O4'—K2—O3'	78.9 (4)	C28—C27—H27B	110.9
O3—K2—C12^i	136.27 (12)	H27A—C27—H27B	108.9
O4—K2—C12^i	91.1 (3)	O2—C28—C27	108.2 (7)
O3—K2—C9	119.09 (13)	O2—C28—H28A	110.1
O4—K2—C9	105.5 (3)	C27—C28—H28A	110.1
O4'—K2—C9	98.7 (4)	O2—C28—H28B	110.1
O3'—K2—C9	129.31 (17)	C27—C28—H28B	110.1
C12^i—K2—C9	102.60 (9)	H28A—C28—H28B	108.4
O3—K2—C13^i	129.59 (12)	C28'—O2'—C25'	108.1 (11)
O4—K2—C13^i	118.1 (3)	C28'—O2'—K1	128.7 (13)
C12^i—K2—C13^i	27.01 (9)	C25'—O2'—K1	120.5 (13)
C9—K2—C13^i	94.04 (10)	O2'—C25'—C26'	103.3 (11)
O3—K2—C2	73.28 (13)	O2'—C25'—H25C	111.1
O4—K2—C2	120.2 (3)	C26'—C25'—H25C	111.1
O4'—K2—C2	121.0 (5)	O2'—C25'—H25D	111.1
O3'—K2—C2	89.90 (18)	C26'—C25'—H25D	111.1
C12^i—K2—C2	139.52 (10)	H25C—C25'—H25D	109.1
C9—K2—C2	47.72 (8)	C27'—C26'—C25'	103.1 (10)
C13^i—K2—C2	116.23 (11)	C27'—C26'—H26C	111.1
O3—K2—C11^i	112.47 (13)	C25'—C26'—H26C	111.1
O4—K2—C11^i	77.3 (3)	C27'—C26'—H26D	111.1
C12^i—K2—C11^i	26.88 (9)	C25'—C26'—H26D	111.1
C9—K2—C11^i	128.29 (9)	H26C—C26'—H26D	109.1
C13^i—K2—C11^i	46.64 (10)	C26'—C27'—C28'	106.6 (10)
C2—K2—C11^i	162.15 (10)	C26'—C27'—H27C	110.4
O3—K2—C1	99.13 (14)	C28'—C27'—H27C	110.4
O4—K2—C1	126.5 (3)	C26'—C27'—H27D	110.4
O4'—K2—C1	122.0 (4)	C28'—C27'—H27D	110.4
O3'—K2—C1	116.25 (18)	H27C—C27'—H27D	108.6
C12^i—K2—C1	114.70 (10)	O2'—C28'—C27'	104.7 (11)
C9—K2—C1	26.87 (8)	O2'—C28'—H28C	110.8
C13^i—K2—C1	95.63 (10)	C27'—C28'—H28C	110.8
C2—K2—C1	26.38 (8)	O2'—C28'—H28D	110.8
C11^i—K2—C1	141.02 (9)	C27'—C28'—H28D	110.8
O3—K2—C14^i	104.23 (12)	H28C—C28'—H28D	108.9
O4—K2—C14^i	129.4 (3)	C29—O3—C32	109.9 (5)
C12^i—K2—C14^i	45.82 (10)	C29—O3—K2	125.0 (3)
C9—K2—C14^i	108.66 (10)	C32—O3—K2	118.8 (5)
C13^i—K2—C14^i	25.50 (10)	O3—C29—C30	107.3 (5)
C2—K2—C14^i	110.39 (10)	O3—C29—H29A	110.3
C11^i—K2—C14^i	52.24 (9)	C30—C29—H29A	110.3
C1—K2—C14^i	99.27 (10)	O3—C29—H29B	110.3
O3—K2—C8	143.28 (13)	C30—C29—H29B	110.3
O4—K2—C8	103.6 (2)	H29A—C29—H29B	108.5
O4'—K2—C8	94.4 (3)	C29—C30—C31	104.4 (6)
O3'—K2—C8	152.30 (18)	C29—C30—H30A	110.9
C12^i—K2—C8	78.20 (8)	C31—C30—H30A	110.9
C9—K2—C8	24.52 (7)	C29—C30—H30B	110.9
C13^i—K2—C8	73.28 (9)	C31—C30—H30B	110.9
C2—K2—C8	70.38 (8)	H30A—C30—H30B	108.9
C11^i—K2—C8	103.80 (8)	C32—C31—C30	103.4 (7)
C1—K2—C8	45.53 (7)	C32—C31—H31A	111.1
C14^i—K2—C8	93.19 (9)	C30—C31—H31A	111.1
O3—K2—C19^i	90.76 (11)	C32—C31—H31B	111.1
O4—K2—C19^i	88.9 (3)	C30—C31—H31B	111.1
C12^i—K2—C19^i	45.57 (8)	H31A—C31—H31B	109.0
C9—K2—C19^i	146.12 (8)	O3—C32—C31	104.5 (6)
C13^i—K2—C19^i	52.52 (9)	O3—C32—H32A	110.8
C2—K2—C19^i	145.89 (9)	C31—C32—H32A	110.8
C11^i—K2—C19^i	24.97 (7)	O3—C32—H32B	110.8
C1—K2—C19^i	142.85 (9)	C31—C32—H32B	110.8
C14^i—K2—C19^i	43.63 (8)	H32A—C32—H32B	108.9
C8—K2—C19^i	122.89 (7)	C32'—O3'—C29'	103.1 (8)
O3—K2—C20^i	87.32 (11)	C32'—O3'—K2	123.2 (7)
O4—K2—C20^i	113.5 (3)	C29'—O3'—K2	131.8 (8)
O4'—K2—C20^i	115.7 (5)	C30'—C29'—O3'	105.2 (9)
O3'—K2—C20^i	90.2 (2)	C30'—C29'—H29C	110.7
C12^i—K2—C20^i	52.60 (8)	O3'—C29'—H29C	110.7
C9—K2—C20^i	132.69 (9)	C30'—C29'—H29D	110.7
C13^i—K2—C20^i	44.26 (10)	O3'—C29'—H29D	110.7
C2—K2—C20^i	122.18 (9)	H29C—C29'—H29D	108.8
C11^i—K2—C20^i	44.20 (8)	C29'—C30'—C31'	105.4 (10)
C1—K2—C20^i	119.51 (9)	C29'—C30'—H30C	110.7
C14^i—K2—C20^i	24.15 (9)	C31'—C30'—H30C	110.7
C8—K2—C20^i	116.53 (9)	C29'—C30'—H30D	110.7
C19^i—K2—C20^i	24.81 (7)	C31'—C30'—H30D	110.7
O3—K2—C10	108.17 (11)	H30C—C30'—H30D	108.8
O4—K2—C10	84.5 (3)	C32'—C31'—C30'	104.6 (9)
O4'—K2—C10	79.6 (4)	C32'—C31'—H31C	110.8
O3'—K2—C10	110.73 (18)	C30'—C31'—H31C	110.8
C12^i—K2—C10	115.46 (8)	C32'—C31'—H31D	110.8
C9—K2—C10	24.11 (7)	C30'—C31'—H31D	110.8
C13^i—K2—C10	114.94 (9)	H31C—C31'—H31D	108.9
C2—K2—C10	50.71 (8)	O3'—C32'—C31'	107.2 (10)
C11^i—K2—C10	135.13 (8)	O3'—C32'—H32C	110.3
C1—K2—C10	42.39 (8)	C31'—C32'—H32C	110.3
C14^i—K2—C10	132.53 (9)	O3'—C32'—H32D	110.3
C8—K2—C10	41.67 (7)	C31'—C32'—H32D	110.3
C19^i—K2—C10	159.93 (7)	H32C—C32'—H32D	108.5
C20^i—K2—C10	156.67 (8)	C36—O4—C33	109.0 (7)
C24—O1—C21	109.3 (3)	C36—O4—K2	116.9 (8)
C24—O1—K1	126.2 (2)	C33—O4—K2	112.5 (7)
C21—O1—K1	118.8 (2)	O4—C33—C34	106.6 (7)
C2—C1—C9	117.5 (3)	O4—C33—H33A	110.4
C2—C1—V1	66.43 (18)	C34—C33—H33A	110.4
C9—C1—V1	108.8 (2)	O4—C33—H33B	110.4
C2—C1—K2	73.54 (17)	C34—C33—H33B	110.4
C9—C1—K2	69.04 (16)	H33A—C33—H33B	108.6
V1—C1—K2	132.93 (14)	C33—C34—C35	103.2 (7)
C2—C1—H1A	121.0 (19)	C33—C34—H34A	111.1
C9—C1—H1A	113.2 (19)	C35—C34—H34A	111.1
V1—C1—H1A	121.6 (19)	C33—C34—H34B	111.1
K2—C1—H1A	99.6 (18)	C35—C34—H34B	111.1
C3—C2—C1	116.2 (3)	H34A—C34—H34B	109.1
C3—C2—V1	72.1 (2)	C36—C35—C34	102.2 (9)
C1—C2—V1	75.48 (18)	C36—C35—H35A	111.3
C3—C2—K2	97.4 (2)	C34—C35—H35A	111.3
C1—C2—K2	80.08 (17)	C36—C35—H35B	111.3
V1—C2—K2	144.95 (14)	C34—C35—H35B	111.3
C3—C2—H2A	120.5 (17)	H35A—C35—H35B	109.2
C1—C2—H2A	123.2 (17)	O4—C36—C35	105.3 (8)
V1—C2—H2A	120.7 (17)	O4—C36—H36A	110.7
K2—C2—H2A	93.7 (17)	C35—C36—H36A	110.7
C2—C3—C4	116.3 (3)	O4—C36—H36B	110.7
C2—C3—V1	70.8 (2)	C35—C36—H36B	110.7
C4—C3—V1	75.7 (2)	H36A—C36—H36B	108.8
C2—C3—H3A	124.5 (18)	C36'—O4'—C33'	105.5 (10)
C4—C3—H3A	119.2 (18)	C36'—O4'—K2	119.6 (12)
V1—C3—H3A	122.7 (18)	C33'—O4'—K2	125.8 (11)
C3—C4—C10	115.9 (3)	O4'—C33'—C34'	110.3 (10)
C3—C4—V1	66.42 (19)	O4'—C33'—H33C	109.6
C10—C4—V1	108.3 (2)	C34'—C33'—H33C	109.6
C3—C4—K1	132.5 (2)	O4'—C33'—H33D	109.6
C10—C4—K1	55.91 (16)	C34'—C33'—H33D	109.6
V1—C4—K1	72.92 (9)	H33C—C33'—H33D	108.1
C3—C4—H4A	117 (2)	C33'—C34'—C35'	102.5 (11)
C10—C4—H4A	117 (2)	C33'—C34'—H34C	111.3
V1—C4—H4A	123 (2)	C35'—C34'—H34C	111.3
K1—C4—H4A	105.4 (19)	C33'—C34'—H34D	111.3
C10—C5—C6	120.4 (3)	C35'—C34'—H34D	111.3
C10—C5—K1	69.41 (17)	H34C—C34'—H34D	109.2
C6—C5—K1	87.4 (2)	C36'—C35'—C34'	106.8 (11)
C10—C5—H5A	119.8	C36'—C35'—H35C	110.4
C6—C5—H5A	119.8	C34'—C35'—H35C	110.4
K1—C5—H5A	113.6	C36'—C35'—H35D	110.4
C7—C6—C5	120.5 (3)	C34'—C35'—H35D	110.4
C7—C6—K1	83.0 (2)	H35C—C35'—H35D	108.6
C5—C6—K1	67.62 (18)	O4'—C36'—C35'	107.9 (11)
C7—C6—H6A	119.8	O4'—C36'—H36C	110.1
C5—C6—H6A	119.8	C35'—C36'—H36C	110.1
K1—C6—H6A	120.4	O4'—C36'—H36D	110.1
C6—C7—C8	120.2 (3)	C35'—C36'—H36D	110.1
C6—C7—K1	74.1 (2)	H36C—C36'—H36D	108.4
C8—C7—K1	73.92 (17)
C9—C1—C2—C3	−38.5 (4)	C15—C16—C17—C18	−0.3 (5)
V1—C1—C2—C3	61.2 (3)	K1—C16—C17—C18	−80.1 (3)
K2—C1—C2—C3	−93.4 (3)	C15—C16—C17—K1	79.8 (3)
C9—C1—C2—V1	−99.7 (3)	C16—C17—C18—C19	−2.7 (5)
K2—C1—C2—V1	−154.66 (13)	K1—C17—C18—C19	−72.6 (3)
C9—C1—C2—K2	54.9 (2)	C16—C17—C18—K1	69.9 (3)
V1—C1—C2—K2	154.66 (13)	C17—C18—C19—C11	−177.8 (3)
C1—C2—C3—C4	−0.7 (4)	K1—C18—C19—C11	122.1 (3)
V1—C2—C3—C4	62.4 (3)	C17—C18—C19—C20	3.6 (4)
K2—C2—C3—C4	−83.2 (3)	K1—C18—C19—C20	−56.5 (2)
C1—C2—C3—V1	−63.1 (2)	C17—C18—C19—V1	92.1 (4)
K2—C2—C3—V1	−145.64 (12)	K1—C18—C19—V1	31.9 (3)
C2—C3—C4—C10	40.1 (4)	C17—C18—C19—K2^ii	−93.0 (3)
V1—C3—C4—C10	99.8 (3)	K1—C18—C19—K2^ii	−153.07 (16)
C2—C3—C4—V1	−59.7 (3)	C12—C11—C19—C18	−175.9 (3)
C2—C3—C4—K1	−26.4 (5)	V1—C11—C19—C18	−124.6 (3)
V1—C3—C4—K1	33.3 (3)	K2^ii—C11—C19—C18	117.8 (3)
C10—C5—C6—C7	2.6 (5)	C12—C11—C19—C20	2.7 (4)
K1—C5—C6—C7	66.8 (3)	V1—C11—C19—C20	54.0 (2)
C10—C5—C6—K1	−64.2 (3)	K2^ii—C11—C19—C20	−63.6 (2)
C5—C6—C7—C8	1.1 (5)	C12—C11—C19—V1	−51.3 (3)
K1—C6—C7—C8	60.0 (3)	K2^ii—C11—C19—V1	−117.54 (11)
C5—C6—C7—K1	−58.9 (3)	C12—C11—C19—K2^ii	66.2 (3)
C6—C7—C8—C9	−4.7 (5)	V1—C11—C19—K2^ii	117.54 (11)
K1—C7—C8—C9	55.4 (2)	C13—C14—C20—C15	178.0 (3)
C6—C7—C8—K1	−60.1 (3)	V1—C14—C20—C15	127.2 (3)
C6—C7—C8—K2	67.4 (4)	K2^ii—C14—C20—C15	−120.2 (3)
K1—C7—C8—K2	127.50 (15)	C13—C14—C20—C19	−1.1 (5)
C7—C8—C9—C10	4.5 (4)	V1—C14—C20—C19	−51.8 (3)
K1—C8—C9—C10	68.3 (2)	K2^ii—C14—C20—C19	60.8 (3)
K2—C8—C9—C10	−98.2 (3)	C13—C14—C20—V1	50.7 (3)
C7—C8—C9—C1	−173.1 (3)	K2^ii—C14—C20—V1	112.63 (11)
K1—C8—C9—C1	−109.3 (3)	C13—C14—C20—K2^ii	−61.9 (3)
K2—C8—C9—C1	84.2 (3)	V1—C14—C20—K2^ii	−112.63 (11)
C7—C8—C9—K2	102.7 (3)	C16—C15—C20—C14	179.6 (3)
K1—C8—C9—K2	166.53 (12)	K1—C15—C20—C14	−113.5 (3)
C7—C8—C9—K1	−63.8 (3)	C16—C15—C20—C19	−1.3 (5)
K2—C8—C9—K1	−166.53 (12)	K1—C15—C20—C19	65.5 (3)
C2—C1—C9—C8	−145.4 (3)	C16—C15—C20—V1	−87.7 (5)
V1—C1—C9—C8	142.0 (2)	K1—C15—C20—V1	−20.8 (4)
K2—C1—C9—C8	−88.2 (3)	C16—C15—C20—K2^ii	89.4 (4)
C2—C1—C9—C10	36.9 (4)	K1—C15—C20—K2^ii	156.24 (17)
V1—C1—C9—C10	−35.7 (3)	C18—C19—C20—C14	177.5 (3)
K2—C1—C9—C10	94.1 (2)	C11—C19—C20—C14	−1.2 (4)
C2—C1—C9—K2	−57.2 (3)	V1—C19—C20—C14	51.4 (3)
V1—C1—C9—K2	−129.80 (15)	K2^ii—C19—C20—C14	−58.3 (3)
C2—C1—C9—K1	113.0 (3)	C18—C19—C20—C15	−1.6 (4)
V1—C1—C9—K1	40.4 (2)	C11—C19—C20—C15	179.7 (3)
K2—C1—C9—K1	170.17 (14)	V1—C19—C20—C15	−127.7 (3)
C6—C5—C10—C9	−2.7 (5)	K2^ii—C19—C20—C15	122.5 (3)
K1—C5—C10—C9	−76.6 (2)	C18—C19—C20—V1	126.1 (3)
C6—C5—C10—C4	171.3 (3)	C11—C19—C20—V1	−52.6 (2)
K1—C5—C10—C4	97.4 (3)	K2^ii—C19—C20—V1	−109.76 (8)
C6—C5—C10—K1	73.9 (3)	C18—C19—C20—K2^ii	−124.1 (2)
C6—C5—C10—K2	−68.0 (3)	C11—C19—C20—K2^ii	57.2 (2)
K1—C5—C10—K2	−141.89 (15)	V1—C19—C20—K2^ii	109.76 (8)
C8—C9—C10—C5	−0.8 (4)	C24—O1—C21—C22	−18.8 (5)
C1—C9—C10—C5	177.1 (3)	K1—O1—C21—C22	136.5 (4)
K2—C9—C10—C5	−96.6 (3)	O1—C21—C22—C23	32.9 (6)
K1—C9—C10—C5	78.2 (3)	C21—C22—C23—C24	−33.9 (5)
C8—C9—C10—C4	−175.4 (3)	C21—O1—C24—C23	−3.5 (5)
C1—C9—C10—C4	2.5 (4)	K1—O1—C24—C23	−156.5 (3)
K2—C9—C10—C4	88.8 (3)	C22—C23—C24—O1	23.4 (5)
K1—C9—C10—C4	−96.4 (3)	C28—O2—C25—C26	15.8 (15)
C8—C9—C10—K1	−79.0 (2)	K1—O2—C25—C26	−170.5 (9)
C1—C9—C10—K1	98.9 (2)	O2—C25—C26—C27	−28.6 (12)
K2—C9—C10—K1	−174.79 (9)	C25—C26—C27—C28	29.7 (11)
C8—C9—C10—K2	95.8 (3)	C25—O2—C28—C27	3.4 (17)
C1—C9—C10—K2	−86.3 (2)	K1—O2—C28—C27	−170.3 (10)
K1—C9—C10—K2	174.79 (9)	C26—C27—C28—O2	−21.6 (14)
C3—C4—C10—C5	145.2 (3)	C28'—O2'—C25'—C26'	−39 (3)
V1—C4—C10—C5	−142.7 (3)	K1—O2'—C25'—C26'	124.0 (15)
K1—C4—C10—C5	−89.5 (3)	O2'—C25'—C26'—C27'	32 (2)
C3—C4—C10—C9	−40.6 (4)	C25'—C26'—C27'—C28'	−15 (2)
V1—C4—C10—C9	31.5 (3)	C25'—O2'—C28'—C27'	29 (3)
K1—C4—C10—C9	84.7 (2)	K1—O2'—C28'—C27'	−132.0 (17)
C3—C4—C10—K1	−125.4 (3)	C26'—C27'—C28'—O2'	−7 (2)
V1—C4—C10—K1	−53.3 (2)	C32—O3—C29—C30	5.8 (11)
C3—C4—C10—K2	21.1 (3)	K2—O3—C29—C30	−145.9 (6)
V1—C4—C10—K2	93.20 (17)	O3—C29—C30—C31	14.6 (10)
K1—C4—C10—K2	146.45 (16)	C29—C30—C31—C32	−28.7 (10)
C19—C11—C12—C13	−1.9 (4)	C29—O3—C32—C31	−24.2 (11)
V1—C11—C12—C13	−55.1 (3)	K2—O3—C32—C31	129.4 (6)
K2^ii—C11—C12—C13	73.0 (3)	C30—C31—C32—O3	32.2 (11)
C19—C11—C12—V1	53.2 (3)	C32'—O3'—C29'—C30'	37.1 (19)
K2^ii—C11—C12—V1	128.12 (11)	K2—O3'—C29'—C30'	−127.2 (13)
C19—C11—C12—K2^ii	−74.9 (3)	O3'—C29'—C30'—C31'	−23 (2)
V1—C11—C12—K2^ii	−128.12 (11)	C29'—C30'—C31'—C32'	1 (2)
C11—C12—C13—C14	−0.4 (5)	C29'—O3'—C32'—C31'	−37.1 (18)
V1—C12—C13—C14	−56.3 (3)	K2—O3'—C32'—C31'	128.9 (11)
K2^ii—C12—C13—C14	74.0 (3)	C30'—C31'—C32'—O3'	22 (2)
C11—C12—C13—V1	55.9 (3)	C36—O4—C33—C34	2.7 (13)
K2^ii—C12—C13—V1	130.23 (12)	K2—O4—C33—C34	−128.5 (6)
C11—C12—C13—K2^ii	−74.4 (3)	O4—C33—C34—C35	−24.1 (10)
V1—C12—C13—K2^ii	−130.23 (12)	C33—C34—C35—C36	35.8 (12)
C12—C13—C14—C20	1.9 (5)	C33—O4—C36—C35	20.5 (15)
V1—C13—C14—C20	−52.9 (3)	K2—O4—C36—C35	149.4 (10)
K2^ii—C13—C14—C20	69.7 (3)	C34—C35—C36—O4	−34.7 (15)
C12—C13—C14—V1	54.9 (3)	C36'—O4'—C33'—C34'	−8 (2)
K2^ii—C13—C14—V1	122.62 (13)	K2—O4'—C33'—C34'	−153.7 (14)
C12—C13—C14—K2^ii	−67.8 (3)	O4'—C33'—C34'—C35'	21 (2)
V1—C13—C14—K2^ii	−122.62 (13)	C33'—C34'—C35'—C36'	−27 (3)
C20—C15—C16—C17	2.3 (5)	C33'—O4'—C36'—C35'	−10 (3)
K1—C15—C16—C17	−77.2 (3)	K2—O4'—C36'—C35'	139.0 (17)
C20—C15—C16—K1	79.5 (3)	C34'—C35'—C36'—O4'	23 (3)

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x+1, y−1/2, −z+1/2.

(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(naphthalene)vanadium tetrahydrofuran (4b)

Crystal data

[K(C18H36N2O6)][V(C10H8)2(C6H16P2)]·C4H8O	F(000) = 506
Mr = 945.08	Dx = 1.278 Mg m^−3
Monoclinic, P2	Mo Kα radiation, λ = 0.71073 Å
a = 10.3028 (11) Å	Cell parameters from 2618 reflections
b = 8.6409 (9) Å	θ = 2.4–23.6°
c = 14.5778 (15) Å	µ = 0.40 mm^−1
β = 108.835 (2)°	T = 173 K
V = 1228.3 (2) Å^3	Plate, red
Z = 1	0.25 × 0.15 × 0.03 mm

Data collection

Siemens SMART CCD platform diffractometer	3491 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.048
ω scans	θmax = 25.1°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
Tmin = 0.906, Tmax = 0.988	k = −10→10
10165 measured reflections	l = −17→17
4352 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.040	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.089	w = 1/[σ^2(Fo^2) + (0.0359P)^2 + 0.0452P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max < 0.001
4352 reflections	Δρmax = 0.34 e Å^−3
295 parameters	Δρmin = −0.28 e Å^−3
1 restraint	Absolute structure: Flack x determined using 1372 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.05 (2)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. The hydrogen atoms on the metal-coordinating carbon atoms were refined freely to confirm their nature and better describe their true positions.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
V1	0.500000	0.96419 (11)	0.500000	0.0178 (3)
K1	1.000000	0.56885 (18)	1.000000	0.0283 (4)
P1	0.37156 (13)	0.75182 (14)	0.53759 (9)	0.0241 (3)
O1	1.0616 (4)	0.8533 (5)	0.9270 (3)	0.0487 (10)
O2	0.8276 (4)	0.4414 (5)	0.8252 (2)	0.0435 (10)
O3	0.7597 (3)	0.4034 (5)	0.9947 (2)	0.0453 (11)
O4	0.000000	0.3999 (7)	0.500000	0.070 (2)
N1	1.0928 (4)	0.5669 (6)	0.8261 (3)	0.0382 (11)
C1	0.4668 (5)	1.1215 (5)	0.6203 (3)	0.0227 (11)
H1	0.393 (4)	1.197 (5)	0.607 (3)	0.015 (11)*
C2	0.5834 (5)	1.1596 (6)	0.5923 (3)	0.0243 (11)
H2	0.595 (4)	1.258 (6)	0.570 (3)	0.021 (12)*
C3	0.6851 (5)	1.0471 (6)	0.6072 (3)	0.0249 (11)
H3	0.765 (4)	1.063 (5)	0.596 (3)	0.014 (11)*
C4	0.6583 (5)	0.9095 (6)	0.6533 (3)	0.0249 (11)
H4	0.718 (4)	0.828 (5)	0.661 (3)	0.010 (11)*
C5	0.6383 (5)	0.8515 (6)	0.8195 (3)	0.0303 (12)
H5	0.713578	0.781749	0.834836	0.036*
C6	0.5666 (6)	0.8743 (7)	0.8849 (3)	0.0367 (13)
H6	0.592547	0.818106	0.944115	0.044*
C7	0.4596 (5)	0.9764 (7)	0.8650 (3)	0.0368 (13)
H7	0.410300	0.989677	0.909429	0.044*
C8	0.4237 (5)	1.0611 (6)	0.7787 (3)	0.0315 (12)
H8	0.350993	1.134168	0.765401	0.038*
C9	0.4924 (5)	1.0400 (6)	0.7124 (3)	0.0244 (11)
C10	0.5995 (5)	0.9307 (5)	0.7320 (3)	0.0228 (11)
C11	0.1832 (5)	0.7433 (7)	0.4893 (4)	0.0347 (12)
H11A	0.153444	0.634942	0.482504	0.052*
H11B	0.151363	0.793915	0.425726	0.052*
H11C	0.144318	0.796465	0.533786	0.052*
C12	0.3877 (6)	0.6753 (6)	0.6583 (4)	0.0364 (14)
H12A	0.327048	0.585791	0.651803	0.055*
H12B	0.361953	0.755744	0.696618	0.055*
H12C	0.482842	0.643698	0.691009	0.055*
C13	0.4222 (5)	0.5742 (6)	0.4885 (4)	0.0321 (12)
H13A	0.393811	0.482347	0.517844	0.039*
H13B	0.376532	0.569827	0.417467	0.039*
C14	0.9994 (7)	0.9838 (8)	0.9504 (4)	0.0615 (18)
H14A	0.903322	0.989324	0.906807	0.074*
H14B	1.047626	1.077370	0.939003	0.074*
C15	1.0702 (7)	0.8538 (8)	0.8334 (5)	0.0620 (19)
H15A	1.115669	0.950379	0.823547	0.074*
H15B	0.976443	0.852846	0.785968	0.074*
C16	1.1469 (8)	0.7205 (9)	0.8150 (5)	0.069 (2)
H16A	1.150334	0.729183	0.748107	0.083*
H16B	1.242324	0.727211	0.859588	0.083*
C17	0.9761 (6)	0.5311 (8)	0.7408 (4)	0.0565 (19)
H17A	1.011472	0.501107	0.687697	0.068*
H17B	0.921511	0.626686	0.720217	0.068*
C18	0.8833 (6)	0.4073 (7)	0.7521 (4)	0.0494 (17)
H18A	0.808066	0.393309	0.690096	0.059*
H18B	0.934761	0.308707	0.767639	0.059*
C19	0.7279 (6)	0.3348 (8)	0.8314 (4)	0.0532 (18)
H19A	0.771179	0.232021	0.848988	0.064*
H19B	0.656620	0.325427	0.767057	0.064*
C20	0.6641 (6)	0.3793 (9)	0.9015 (4)	0.063 (2)
H20A	0.611306	0.475703	0.879642	0.075*
H20B	0.598794	0.297535	0.905440	0.075*
C21	0.6992 (6)	0.4365 (9)	1.0649 (4)	0.0561 (19)
H21A	0.633461	0.353248	1.065485	0.067*
H21B	0.647196	0.534507	1.047958	0.067*
C22	0.8015 (6)	0.4508 (9)	1.1629 (4)	0.0589 (18)
H22A	0.752165	0.474711	1.209304	0.071*
H22B	0.846683	0.349160	1.181420	0.071*
C23	0.1144 (6)	0.3055 (7)	0.5429 (5)	0.0598 (19)
H23A	0.164708	0.342480	0.609088	0.072*
H23B	0.177470	0.307670	0.504036	0.072*
C24	0.0626 (6)	0.1451 (7)	0.5465 (4)	0.0555 (17)
H24A	0.035608	0.128176	0.605008	0.067*
H24B	0.130978	0.066211	0.543807	0.067*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.0211 (6)	0.0172 (6)	0.0136 (6)	0.000	0.0038 (5)	0.000
K1	0.0239 (8)	0.0346 (9)	0.0240 (8)	0.000	0.0043 (7)	0.000
P1	0.0295 (7)	0.0217 (7)	0.0230 (7)	−0.0057 (6)	0.0111 (6)	−0.0041 (6)
O1	0.053 (2)	0.040 (2)	0.050 (2)	0.001 (2)	0.013 (2)	0.010 (2)
O2	0.042 (2)	0.058 (3)	0.0311 (19)	−0.021 (2)	0.0129 (17)	−0.0161 (19)
O3	0.033 (2)	0.072 (3)	0.030 (2)	−0.0185 (19)	0.0072 (17)	−0.0089 (18)
O4	0.047 (4)	0.036 (4)	0.120 (6)	0.000	0.019 (4)	0.000
N1	0.027 (2)	0.058 (3)	0.030 (2)	0.004 (2)	0.0104 (19)	0.008 (2)
C1	0.029 (3)	0.017 (3)	0.021 (2)	0.003 (2)	0.006 (2)	−0.004 (2)
C2	0.035 (3)	0.020 (3)	0.015 (2)	−0.007 (2)	0.004 (2)	−0.002 (2)
C3	0.023 (3)	0.034 (3)	0.017 (2)	−0.004 (2)	0.005 (2)	0.000 (2)
C4	0.023 (3)	0.027 (3)	0.021 (3)	0.003 (2)	0.002 (2)	0.003 (2)
C5	0.031 (3)	0.035 (3)	0.020 (3)	0.001 (3)	0.001 (2)	0.006 (2)
C6	0.050 (3)	0.045 (3)	0.012 (2)	−0.011 (3)	0.007 (2)	0.003 (2)
C7	0.046 (3)	0.047 (3)	0.021 (2)	−0.012 (3)	0.016 (2)	−0.003 (3)
C8	0.038 (3)	0.034 (3)	0.025 (3)	−0.004 (3)	0.013 (2)	−0.008 (2)
C9	0.027 (3)	0.029 (3)	0.014 (2)	−0.010 (2)	0.003 (2)	−0.003 (2)
C10	0.026 (3)	0.023 (3)	0.017 (2)	−0.006 (2)	0.003 (2)	0.000 (2)
C11	0.032 (3)	0.035 (3)	0.040 (3)	−0.011 (3)	0.015 (2)	−0.007 (3)
C12	0.054 (4)	0.030 (3)	0.033 (3)	−0.021 (3)	0.024 (3)	−0.002 (2)
C13	0.046 (3)	0.020 (3)	0.035 (3)	−0.007 (3)	0.020 (3)	−0.004 (2)
C14	0.063 (4)	0.040 (4)	0.073 (4)	0.000 (4)	0.011 (4)	0.006 (3)
C15	0.064 (4)	0.056 (4)	0.069 (5)	−0.012 (4)	0.027 (4)	0.021 (4)
C16	0.072 (5)	0.085 (6)	0.063 (5)	−0.011 (4)	0.038 (4)	0.020 (4)
C17	0.051 (4)	0.089 (5)	0.025 (3)	−0.004 (4)	0.007 (3)	0.001 (3)
C18	0.045 (3)	0.069 (5)	0.029 (3)	−0.004 (3)	0.005 (3)	−0.010 (3)
C19	0.053 (4)	0.063 (4)	0.037 (4)	−0.023 (4)	0.005 (3)	−0.012 (3)
C20	0.046 (4)	0.096 (5)	0.042 (4)	−0.035 (4)	0.008 (3)	−0.015 (4)
C21	0.039 (3)	0.091 (6)	0.040 (3)	−0.025 (4)	0.015 (3)	−0.007 (3)
C22	0.046 (3)	0.096 (5)	0.036 (3)	−0.029 (4)	0.016 (3)	−0.003 (4)
C23	0.047 (4)	0.048 (4)	0.078 (5)	0.009 (3)	0.012 (4)	−0.013 (3)
C24	0.055 (4)	0.050 (4)	0.068 (4)	0.011 (3)	0.029 (3)	0.014 (3)

Geometric parameters (Å, º)

V1—C2^i	2.157 (5)	C6—H6	0.9500
V1—C2	2.157 (5)	C7—C8	1.399 (7)
V1—C3	2.161 (5)	C7—H7	0.9500
V1—C3^i	2.161 (5)	C8—C9	1.382 (6)
V1—C1	2.329 (5)	C8—H8	0.9500
V1—C1^i	2.329 (5)	C9—C10	1.410 (6)
V1—C4	2.350 (5)	C11—H11A	0.9800
V1—C4^i	2.350 (5)	C11—H11B	0.9800
V1—P1	2.4263 (14)	C11—H11C	0.9800
V1—P1^i	2.4263 (14)	C12—H12A	0.9800
K1—O2	2.818 (3)	C12—H12B	0.9800
K1—O2^ii	2.818 (3)	C12—H12C	0.9800
K1—O1	2.830 (4)	C13—C13^i	1.528 (9)
K1—O1^ii	2.830 (4)	C13—H13A	0.9900
K1—O3^ii	2.838 (3)	C13—H13B	0.9900
K1—O3	2.838 (4)	C14—C14^ii	1.444 (12)
K1—N1^ii	2.984 (4)	C14—H14A	0.9900
K1—N1	2.984 (4)	C14—H14B	0.9900
P1—C12	1.837 (5)	C15—C16	1.470 (10)
P1—C13	1.839 (5)	C15—H15A	0.9900
P1—C11	1.840 (5)	C15—H15B	0.9900
O1—C14	1.393 (7)	C16—H16A	0.9900
O1—C15	1.396 (7)	C16—H16B	0.9900
O2—C18	1.395 (6)	C17—C18	1.480 (8)
O2—C19	1.404 (7)	C17—H17A	0.9900
O3—C21	1.389 (6)	C17—H17B	0.9900
O3—C20	1.412 (6)	C18—H18A	0.9900
O4—C23^iii	1.404 (6)	C18—H18B	0.9900
O4—C23	1.404 (6)	C19—C20	1.435 (8)
N1—C22^ii	1.451 (7)	C19—H19A	0.9900
N1—C17	1.457 (7)	C19—H19B	0.9900
N1—C16	1.468 (8)	C20—H20A	0.9900
C1—C2	1.426 (7)	C20—H20B	0.9900
C1—C9	1.463 (6)	C21—C22	1.482 (7)
C1—H1	0.97 (4)	C21—H21A	0.9900
C2—C3	1.395 (7)	C21—H21B	0.9900
C2—H2	0.93 (5)	C22—H22A	0.9900
C3—C4	1.436 (7)	C22—H22B	0.9900
C3—H3	0.90 (4)	C23—C24	1.492 (9)
C4—C10	1.472 (6)	C23—H23A	0.9900
C4—H4	0.92 (4)	C23—H23B	0.9900
C5—C10	1.387 (6)	C24—C24^iii	1.539 (12)
C5—C6	1.396 (7)	C24—H24A	0.9900
C5—H5	0.9500	C24—H24B	0.9900
C6—C7	1.368 (7)
C2^i—V1—C2	77.0 (3)	C4—C3—H3	123 (3)
C2^i—V1—C3	105.8 (2)	V1—C3—H3	125 (3)
C2—V1—C3	37.69 (18)	C3—C4—C10	116.9 (4)
C2^i—V1—C3^i	37.69 (18)	C3—C4—V1	64.4 (3)
C2—V1—C3^i	105.8 (2)	C10—C4—V1	112.5 (3)
C3—V1—C3^i	141.3 (3)	C3—C4—H4	118 (3)
C2^i—V1—C1	83.51 (17)	C10—C4—H4	115 (3)
C2—V1—C1	36.80 (17)	V1—C4—H4	120 (2)
C3—V1—C1	64.66 (18)	C10—C5—C6	120.0 (5)
C3^i—V1—C1	92.35 (17)	C10—C5—H5	120.0
C2^i—V1—C1^i	36.81 (17)	C6—C5—H5	120.0
C2—V1—C1^i	83.51 (18)	C7—C6—C5	120.9 (5)
C3—V1—C1^i	92.35 (18)	C7—C6—H6	119.5
C3^i—V1—C1^i	64.66 (18)	C5—C6—H6	119.5
C1—V1—C1^i	108.6 (2)	C6—C7—C8	119.3 (5)
C2^i—V1—C4	139.89 (18)	C6—C7—H7	120.3
C2—V1—C4	63.27 (18)	C8—C7—H7	120.3
C3—V1—C4	36.83 (17)	C9—C8—C7	120.9 (5)
C3^i—V1—C4	159.04 (18)	C9—C8—H8	119.6
C1—V1—C4	68.11 (17)	C7—C8—H8	119.6
C1^i—V1—C4	127.42 (17)	C8—C9—C10	119.4 (4)
C2^i—V1—C4^i	63.27 (18)	C8—C9—C1	126.7 (5)
C2—V1—C4^i	139.89 (18)	C10—C9—C1	113.9 (4)
C3—V1—C4^i	159.04 (18)	C5—C10—C9	119.4 (4)
C3^i—V1—C4^i	36.83 (17)	C5—C10—C4	125.9 (4)
C1—V1—C4^i	127.42 (17)	C9—C10—C4	114.7 (4)
C1^i—V1—C4^i	68.11 (17)	P1—C11—H11A	109.5
C4—V1—C4^i	156.8 (2)	P1—C11—H11B	109.5
C2^i—V1—P1	126.62 (14)	H11A—C11—H11B	109.5
C2—V1—P1	125.99 (13)	P1—C11—H11C	109.5
C3—V1—P1	120.41 (14)	H11A—C11—H11C	109.5
C3^i—V1—P1	89.74 (14)	H11B—C11—H11C	109.5
C1—V1—P1	92.76 (12)	P1—C12—H12A	109.5
C1^i—V1—P1	146.57 (12)	P1—C12—H12B	109.5
C4—V1—P1	83.96 (12)	H12A—C12—H12B	109.5
C4^i—V1—P1	78.51 (13)	P1—C12—H12C	109.5
C2^i—V1—P1^i	125.99 (13)	H12A—C12—H12C	109.5
C2—V1—P1^i	126.62 (14)	H12B—C12—H12C	109.5
C3—V1—P1^i	89.74 (14)	C13^i—C13—P1	108.9 (2)
C3^i—V1—P1^i	120.41 (13)	C13^i—C13—H13A	109.9
C1—V1—P1^i	146.57 (12)	P1—C13—H13A	109.9
C1^i—V1—P1^i	92.76 (12)	C13^i—C13—H13B	109.9
C4—V1—P1^i	78.51 (13)	P1—C13—H13B	109.9
C4^i—V1—P1^i	83.96 (12)	H13A—C13—H13B	108.3
P1—V1—P1^i	81.72 (7)	O1—C14—C14^ii	112.9 (4)
O2—K1—O2^ii	133.98 (18)	O1—C14—H14A	109.0
O2—K1—O1	98.73 (12)	C14^ii—C14—H14A	109.0
O2^ii—K1—O1	121.80 (12)	O1—C14—H14B	109.0
O2—K1—O1^ii	121.80 (11)	C14^ii—C14—H14B	109.0
O2^ii—K1—O1^ii	98.73 (12)	H14A—C14—H14B	107.8
O1—K1—O1^ii	59.48 (18)	O1—C15—C16	112.6 (5)
O2—K1—O3^ii	96.74 (11)	O1—C15—H15A	109.1
O2^ii—K1—O3^ii	59.25 (10)	C16—C15—H15A	109.1
O1—K1—O3^ii	98.52 (11)	O1—C15—H15B	109.1
O1^ii—K1—O3^ii	136.61 (12)	C16—C15—H15B	109.1
O2—K1—O3	59.25 (10)	H15A—C15—H15B	107.8
O2^ii—K1—O3	96.74 (11)	N1—C16—C15	116.3 (5)
O1—K1—O3	136.61 (12)	N1—C16—H16A	108.2
O1^ii—K1—O3	98.52 (11)	C15—C16—H16A	108.2
O3^ii—K1—O3	119.50 (17)	N1—C16—H16B	108.2
O2—K1—N1^ii	118.99 (11)	C15—C16—H16B	108.2
O2^ii—K1—N1^ii	60.72 (11)	H16A—C16—H16B	107.4
O1—K1—N1^ii	119.77 (14)	N1—C17—C18	116.3 (5)
O1^ii—K1—N1^ii	60.87 (13)	N1—C17—H17A	108.2
O3^ii—K1—N1^ii	119.33 (11)	C18—C17—H17A	108.2
O3—K1—N1^ii	60.29 (11)	N1—C17—H17B	108.2
O2—K1—N1	60.72 (11)	C18—C17—H17B	108.2
O2^ii—K1—N1	118.99 (11)	H17A—C17—H17B	107.4
O1—K1—N1	60.88 (13)	O2—C18—C17	111.9 (5)
O1^ii—K1—N1	119.77 (14)	O2—C18—H18A	109.2
O3^ii—K1—N1	60.29 (11)	C17—C18—H18A	109.2
O3—K1—N1	119.33 (11)	O2—C18—H18B	109.2
N1^ii—K1—N1	179.4 (2)	C17—C18—H18B	109.2
C12—P1—C13	97.1 (2)	H18A—C18—H18B	107.9
C12—P1—C11	96.4 (2)	O2—C19—C20	112.5 (5)
C13—P1—C11	102.4 (2)	O2—C19—H19A	109.1
C12—P1—V1	126.95 (18)	C20—C19—H19A	109.1
C13—P1—V1	107.41 (16)	O2—C19—H19B	109.1
C11—P1—V1	121.91 (19)	C20—C19—H19B	109.1
C14—O1—C15	114.6 (5)	H19A—C19—H19B	107.8
C14—O1—K1	115.8 (3)	O3—C20—C19	112.8 (5)
C15—O1—K1	117.6 (4)	O3—C20—H20A	109.0
C18—O2—C19	113.6 (4)	C19—C20—H20A	109.0
C18—O2—K1	118.6 (3)	O3—C20—H20B	109.0
C19—O2—K1	117.3 (3)	C19—C20—H20B	109.0
C21—O3—C20	113.5 (4)	H20A—C20—H20B	107.8
C21—O3—K1	118.1 (3)	O3—C21—C22	112.3 (5)
C20—O3—K1	115.6 (3)	O3—C21—H21A	109.2
C23^iii—O4—C23	108.9 (6)	C22—C21—H21A	109.2
C22^ii—N1—C17	109.3 (5)	O3—C21—H21B	109.2
C22^ii—N1—C16	109.8 (5)	C22—C21—H21B	109.2
C17—N1—C16	109.6 (5)	H21A—C21—H21B	107.9
C22^ii—N1—K1	110.2 (3)	N1^ii—C22—C21	116.0 (5)
C17—N1—K1	108.9 (3)	N1^ii—C22—H22A	108.3
C16—N1—K1	109.0 (4)	C21—C22—H22A	108.3
C2—C1—C9	117.1 (4)	N1^ii—C22—H22B	108.3
C2—C1—V1	65.0 (3)	C21—C22—H22B	108.3
C9—C1—V1	112.6 (3)	H22A—C22—H22B	107.4
C2—C1—H1	118 (2)	O4—C23—C24	107.3 (5)
C9—C1—H1	114 (2)	O4—C23—H23A	110.3
V1—C1—H1	122 (2)	C24—C23—H23A	110.3
C3—C2—C1	117.1 (4)	O4—C23—H23B	110.3
C3—C2—V1	71.3 (3)	C24—C23—H23B	110.3
C1—C2—V1	78.2 (3)	H23A—C23—H23B	108.5
C3—C2—H2	121 (3)	C23—C24—C24^iii	100.2 (4)
C1—C2—H2	122 (3)	C23—C24—H24A	111.7
V1—C2—H2	124 (3)	C24^iii—C24—H24A	111.7
C2—C3—C4	113.7 (4)	C23—C24—H24B	111.7
C2—C3—V1	71.0 (3)	C24^iii—C24—H24B	111.7
C4—C3—V1	78.8 (3)	H24A—C24—H24B	109.5
C2—C3—H3	123 (3)
C9—C1—C2—C3	42.0 (6)	C12—P1—C13—C13^i	−89.1 (4)
V1—C1—C2—C3	−61.7 (4)	C11—P1—C13—C13^i	172.8 (4)
C9—C1—C2—V1	103.7 (4)	V1—P1—C13—C13^i	43.3 (4)
C1—C2—C3—C4	−2.5 (6)	C15—O1—C14—C14^ii	−176.1 (6)
V1—C2—C3—C4	−68.0 (4)	K1—O1—C14—C14^ii	42.0 (8)
C1—C2—C3—V1	65.4 (4)	C14—O1—C15—C16	175.1 (5)
C2—C3—C4—C10	−40.1 (6)	K1—O1—C15—C16	−43.8 (6)
V1—C3—C4—C10	−103.4 (4)	C22^ii—N1—C16—C15	−161.6 (6)
C2—C3—C4—V1	63.3 (3)	C17—N1—C16—C15	78.4 (7)
C10—C5—C6—C7	−1.3 (8)	K1—N1—C16—C15	−40.8 (7)
C5—C6—C7—C8	−1.3 (8)	O1—C15—C16—N1	59.0 (8)
C6—C7—C8—C9	1.7 (8)	C22^ii—N1—C17—C18	78.5 (6)
C7—C8—C9—C10	0.5 (7)	C16—N1—C17—C18	−161.1 (5)
C7—C8—C9—C1	−179.2 (5)	K1—N1—C17—C18	−42.0 (6)
C2—C1—C9—C8	142.5 (5)	C19—O2—C18—C17	173.6 (5)
V1—C1—C9—C8	−145.0 (4)	K1—O2—C18—C17	−42.4 (6)
C2—C1—C9—C10	−37.2 (6)	N1—C17—C18—O2	58.7 (7)
V1—C1—C9—C10	35.3 (5)	C18—O2—C19—C20	−175.2 (5)
C6—C5—C10—C9	3.4 (7)	K1—O2—C19—C20	40.4 (6)
C6—C5—C10—C4	−175.0 (4)	C21—O3—C20—C19	−176.0 (6)
C8—C9—C10—C5	−3.0 (7)	K1—O3—C20—C19	42.9 (7)
C1—C9—C10—C5	176.7 (4)	O2—C19—C20—O3	−55.6 (8)
C8—C9—C10—C4	175.6 (4)	C20—O3—C21—C22	176.2 (6)
C1—C9—C10—C4	−4.7 (6)	K1—O3—C21—C22	−43.8 (7)
C3—C4—C10—C5	−137.4 (5)	O3—C21—C22—N1^ii	57.9 (8)
V1—C4—C10—C5	151.0 (4)	C23^iii—O4—C23—C24	−13.3 (3)
C3—C4—C10—C9	44.1 (6)	O4—C23—C24—C24^iii	33.0 (7)
V1—C4—C10—C9	−27.5 (5)

Symmetry codes: (i) −x+1, y, −z+1; (ii) −x+2, y, −z+2; (iii) −x, y, −z+1.

(1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium [(η⁴-anthracene)(tetrahydrofuran)vanadium]-µ-η⁴:η²-anthracene-[(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium]-µ-η²:η⁴-anthracene-[(η⁴-anthracene)(tetrahydrofuran)vanadium] tetrahydrofuran disolvate (5)

Crystal data

[K(C12H24O6)(C4H8O)2][KV2(C12H24O6)(C4H8O)2(C14H10)4]·2C4H8O	Z = 1
Mr = 1854.20	F(000) = 988
Triclinic, P1	Dx = 1.293 Mg m^−3
a = 9.1729 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.3501 (16) Å	Cell parameters from 2579 reflections
c = 27.928 (5) Å	θ = 1.5–25.1°
α = 89.695 (3)°	µ = 0.35 mm^−1
β = 88.670 (3)°	T = 173 K
γ = 83.918 (4)°	Plate, brown
V = 2381.2 (7) Å^3	0.30 × 0.10 × 0.05 mm

Data collection

Siemens SMART CCD platform diffractometer	4713 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.065
ω scans	θmax = 25.1°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −10→10
Tmin = 0.902, Tmax = 0.983	k = −11→11
21602 measured reflections	l = −33→33
8389 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.053	Hydrogen site location: mixed
wR(F^2) = 0.122	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0338P)^2 + 1.6334P] where P = (Fo^2 + 2Fc^2)/3
8389 reflections	(Δ/σ)max = 0.001
647 parameters	Δρmax = 0.43 e Å^−3
124 restraints	Δρmin = −0.36 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. THF ligand O8/C45-C48 is modeled as disordered over two positions (0.58 (1):0.42 (1)). Analogous bond lengths and angles were restrained to be similar. Anisotropic displacement parameters for proximal atoms were restrained to be similar and restrained toward the expected motion relative to bond direction.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
V1	0.61559 (7)	0.68854 (7)	0.22063 (2)	0.03069 (18)
K1	1.000000	0.000000	0.000000	0.0397 (3)
O1	0.4874 (3)	0.5133 (3)	0.21158 (8)	0.0335 (6)
O2	1.1953 (3)	0.1333 (3)	0.05585 (10)	0.0483 (8)
O3	1.1105 (3)	−0.1326 (3)	0.08378 (10)	0.0496 (8)
O4	0.9680 (3)	−0.2902 (3)	0.01570 (10)	0.0471 (7)
O5	0.2992 (3)	0.7921 (3)	0.49853 (8)	0.0336 (6)
O6	0.4001 (3)	0.9214 (3)	0.41287 (8)	0.0332 (6)
O7	0.5460 (3)	1.1676 (3)	0.41741 (8)	0.0348 (6)
C1	0.4097 (4)	0.8286 (4)	0.24723 (14)	0.0346 (10)
H1	0.338 (4)	0.876 (4)	0.2245 (12)	0.042*
C2	0.5414 (5)	0.8914 (5)	0.25687 (16)	0.0415 (11)
H2	0.560 (4)	0.973 (4)	0.2418 (14)	0.050*
C3	0.6426 (5)	0.8161 (5)	0.28532 (15)	0.0394 (11)
H3	0.732 (4)	0.846 (4)	0.2928 (13)	0.047*
C4	0.6111 (4)	0.6813 (5)	0.30323 (14)	0.0376 (11)
H4	0.681 (4)	0.624 (4)	0.3194 (13)	0.045*
C5	0.2218 (5)	0.4175 (4)	0.38004 (14)	0.0410 (10)
H5	0.290580	0.368303	0.400933	0.049*
C6	0.0771 (5)	0.3876 (4)	0.38201 (15)	0.0466 (12)
H6	0.046816	0.319470	0.404494	0.056*
C7	−0.0239 (5)	0.4575 (5)	0.35104 (16)	0.0455 (11)
H7	−0.122496	0.434920	0.351967	0.055*
C8	0.0174 (4)	0.5582 (4)	0.31927 (14)	0.0394 (10)
H8	−0.053122	0.605014	0.298461	0.047*
C9	0.2097 (4)	0.7005 (4)	0.28560 (13)	0.0318 (9)
H9	0.138953	0.753303	0.266231	0.038*
C10	0.4157 (4)	0.5524 (4)	0.34380 (13)	0.0338 (9)
H10	0.486226	0.503866	0.364225	0.041*
C11	0.3529 (4)	0.7311 (4)	0.28201 (12)	0.0277 (9)
C12	0.4602 (4)	0.6517 (4)	0.31178 (12)	0.0298 (9)
C13	0.2684 (4)	0.5195 (4)	0.34759 (13)	0.0320 (9)
C14	0.1629 (4)	0.5939 (4)	0.31687 (13)	0.0295 (9)
C15	0.6353 (4)	0.7286 (4)	0.13986 (14)	0.0359 (10)
H15	0.561 (4)	0.789 (4)	0.1214 (13)	0.043*
C16	0.7422 (5)	0.7957 (5)	0.16582 (15)	0.0425 (11)
H16	0.735 (4)	0.894 (4)	0.1659 (14)	0.051*
C17	0.8398 (5)	0.7093 (5)	0.19297 (15)	0.0429 (11)
H17	0.906 (4)	0.748 (4)	0.2127 (14)	0.051*
C18	0.8289 (4)	0.5595 (5)	0.19324 (14)	0.0392 (11)
H18	0.885 (4)	0.498 (4)	0.2136 (13)	0.047*
C19	0.7584 (5)	0.1364 (5)	0.09092 (17)	0.0505 (12)
H19	0.823 (5)	0.075 (5)	0.1083 (15)	0.061*
C20	0.6838 (6)	0.0774 (6)	0.0550 (2)	0.0596 (14)
H20	0.712 (5)	−0.024 (5)	0.0484 (15)	0.072*
C21	0.5852 (6)	0.1638 (6)	0.02846 (18)	0.0611 (14)
H21	0.534694	0.122988	0.003484	0.073*
C22	0.5587 (5)	0.3091 (5)	0.03767 (14)	0.0499 (12)
H22	0.490715	0.367337	0.018845	0.060*
C23	0.6036 (4)	0.5202 (4)	0.08601 (12)	0.0337 (9)
H23	0.536824	0.579411	0.067034	0.040*
C24	0.8062 (4)	0.3496 (4)	0.13952 (13)	0.0378 (10)
H24	0.878349	0.292579	0.157145	0.045*
C25	0.6702 (4)	0.5817 (4)	0.12369 (12)	0.0307 (9)
C26	0.7738 (4)	0.4926 (4)	0.15130 (13)	0.0320 (9)
C27	0.7348 (4)	0.2844 (4)	0.10164 (13)	0.0369 (10)
C28	0.6317 (4)	0.3720 (4)	0.07482 (13)	0.0338 (9)
C29	0.3529 (4)	0.5242 (4)	0.18441 (13)	0.0375 (10)
H29A	0.375004	0.529100	0.149609	0.045*
H29B	0.287385	0.610966	0.193859	0.045*
C30	0.2833 (5)	0.3905 (5)	0.19658 (19)	0.0670 (15)
H30A	0.213404	0.407386	0.224034	0.080*
H30B	0.230294	0.357865	0.168864	0.080*
C31	0.4053 (6)	0.2846 (6)	0.2089 (2)	0.0879 (19)
H31A	0.445826	0.232370	0.179981	0.105*
H31B	0.373157	0.214096	0.232385	0.105*
C32	0.5178 (5)	0.3699 (4)	0.23011 (14)	0.0424 (11)
H32A	0.509185	0.369782	0.265508	0.051*
H32B	0.618084	0.328817	0.220506	0.051*
C33	1.1696 (5)	0.2837 (5)	0.05542 (16)	0.0584 (13)
H33A	1.250326	0.325378	0.071513	0.070*
H33B	1.076857	0.314745	0.073018	0.070*
C34	1.2226 (5)	0.0760 (6)	0.10221 (16)	0.0657 (15)
H34A	1.139170	0.107652	0.124148	0.079*
H34B	1.312007	0.111491	0.114869	0.079*
C35	1.2424 (5)	−0.0846 (6)	0.09950 (16)	0.0629 (14)
H35A	1.323814	−0.116374	0.076834	0.075*
H35B	1.266677	−0.125894	0.131411	0.075*
C36	1.1160 (5)	−0.2857 (5)	0.08353 (16)	0.0589 (13)
H36A	1.130117	−0.323672	0.116451	0.071*
H36B	1.199468	−0.327037	0.063128	0.071*
C37	0.9766 (5)	−0.3271 (5)	0.06470 (16)	0.0547 (13)
H37A	0.972737	−0.431919	0.068720	0.066*
H37B	0.892417	−0.276411	0.082694	0.066*
C38	0.8396 (5)	−0.3356 (5)	−0.00504 (16)	0.0530 (13)
H38A	0.751355	−0.295916	0.013493	0.064*
H38B	0.844407	−0.441822	−0.004223	0.064*
K2	0.500000	1.000000	0.500000	0.0328 (3)
C39	0.3167 (5)	0.6885 (4)	0.53558 (14)	0.0434 (11)
H39A	0.407940	0.623802	0.529791	0.052*
H39B	0.233135	0.629623	0.536114	0.052*
C40	0.2961 (4)	0.7294 (4)	0.45206 (13)	0.0375 (10)
H40A	0.215754	0.666741	0.450940	0.045*
H40B	0.389837	0.669636	0.445180	0.045*
C41	0.2730 (4)	0.8453 (4)	0.41557 (13)	0.0361 (10)
H41A	0.256139	0.803108	0.383994	0.043*
H41B	0.185777	0.912067	0.424545	0.043*
C42	0.3904 (4)	1.0254 (4)	0.37573 (13)	0.0374 (10)
H42A	0.306428	1.098767	0.382241	0.045*
H42B	0.374573	0.978782	0.344817	0.045*
C43	0.5296 (4)	1.0953 (4)	0.37304 (13)	0.0398 (10)
H43A	0.613988	1.021760	0.367330	0.048*
H43B	0.526260	1.165139	0.346219	0.048*
C44	0.6762 (4)	1.2374 (4)	0.41767 (13)	0.0411 (10)
H44A	0.675653	1.308257	0.391180	0.049*
H44B	0.763055	1.165964	0.413154	0.049*
O8	0.6704 (6)	0.7450 (7)	0.4742 (2)	0.044 (2)	0.582 (11)
C45	0.7922 (10)	0.7415 (15)	0.5047 (4)	0.052 (3)	0.582 (11)
H45A	0.833063	0.641126	0.511179	0.062*	0.582 (11)
H45B	0.763610	0.789371	0.535568	0.062*	0.582 (11)
C46	0.8998 (18)	0.820 (2)	0.4782 (6)	0.093 (5)	0.582 (11)
H46A	1.000896	0.787380	0.488093	0.112*	0.582 (11)
H46B	0.880055	0.924682	0.483497	0.112*	0.582 (11)
C47	0.878 (2)	0.782 (3)	0.4257 (6)	0.056 (4)	0.582 (11)
H47A	0.878604	0.868755	0.405060	0.067*	0.582 (11)
H47B	0.956232	0.708331	0.414213	0.067*	0.582 (11)
C48	0.7312 (17)	0.7261 (17)	0.4265 (4)	0.038 (3)	0.582 (11)
H48A	0.666102	0.779641	0.403251	0.045*	0.582 (11)
H48B	0.741736	0.623016	0.417776	0.045*	0.582 (11)
O8'	0.7675 (10)	0.8254 (10)	0.5026 (3)	0.052 (3)	0.418 (11)
C45'	0.885 (2)	0.8626 (18)	0.4715 (7)	0.042 (3)	0.418 (11)
H45C	0.981176	0.819005	0.483194	0.051*	0.418 (11)
H45D	0.886734	0.968305	0.469872	0.051*	0.418 (11)
C46'	0.856 (3)	0.804 (3)	0.4238 (7)	0.047 (5)	0.418 (11)
H46C	0.947876	0.762332	0.407887	0.056*	0.418 (11)
H46D	0.808112	0.880759	0.403052	0.056*	0.418 (11)
C47'	0.752 (3)	0.687 (2)	0.4343 (6)	0.048 (5)	0.418 (11)
H47C	0.656911	0.709671	0.418359	0.058*	0.418 (11)
H47D	0.796775	0.591257	0.423345	0.058*	0.418 (11)
C48'	0.731 (2)	0.6893 (14)	0.4875 (5)	0.047 (3)	0.418 (11)
H48C	0.628538	0.676739	0.496637	0.056*	0.418 (11)
H48D	0.796568	0.611158	0.502416	0.056*	0.418 (11)
O9	−0.1375 (4)	0.0950 (4)	0.31276 (15)	0.0904 (12)
C49	−0.1379 (6)	0.1502 (7)	0.2653 (2)	0.094 (2)
H49A	−0.164189	0.255662	0.265583	0.113*
H49B	−0.210531	0.105947	0.246074	0.113*
C50	0.0130 (6)	0.1147 (6)	0.24421 (18)	0.0719 (15)
H50A	0.039998	0.191474	0.222199	0.086*
H50B	0.021534	0.022146	0.226801	0.086*
C51	0.1059 (4)	0.1052 (5)	0.28796 (14)	0.0472 (11)
H51A	0.196146	0.038466	0.282909	0.057*
H51B	0.133164	0.200823	0.297100	0.057*
C52	0.0057 (5)	0.0481 (5)	0.32491 (16)	0.0545 (12)
H52A	0.020373	−0.058302	0.325535	0.065*
H52B	0.026564	0.084091	0.357044	0.065*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.0293 (4)	0.0358 (4)	0.0277 (4)	−0.0075 (3)	0.0025 (3)	−0.0055 (3)
K1	0.0465 (8)	0.0397 (8)	0.0353 (7)	−0.0142 (6)	−0.0074 (6)	0.0030 (6)
O1	0.0331 (15)	0.0355 (16)	0.0326 (15)	−0.0064 (12)	−0.0037 (12)	0.0005 (12)
O2	0.0490 (19)	0.053 (2)	0.0447 (19)	−0.0133 (15)	0.0004 (14)	−0.0171 (16)
O3	0.051 (2)	0.053 (2)	0.0438 (18)	0.0020 (16)	−0.0050 (15)	0.0040 (15)
O4	0.0533 (19)	0.0436 (18)	0.0448 (18)	−0.0109 (15)	0.0158 (15)	−0.0023 (14)
O5	0.0396 (16)	0.0319 (15)	0.0306 (15)	−0.0099 (12)	−0.0018 (12)	−0.0018 (13)
O6	0.0317 (15)	0.0392 (16)	0.0302 (15)	−0.0088 (12)	−0.0077 (12)	0.0004 (13)
O7	0.0351 (16)	0.0416 (16)	0.0297 (15)	−0.0139 (13)	−0.0002 (12)	−0.0029 (13)
C1	0.032 (2)	0.038 (2)	0.033 (2)	−0.0006 (19)	0.0017 (18)	−0.001 (2)
C2	0.044 (3)	0.036 (3)	0.045 (3)	−0.009 (2)	0.014 (2)	−0.009 (2)
C3	0.033 (2)	0.053 (3)	0.035 (2)	−0.015 (2)	0.007 (2)	−0.017 (2)
C4	0.027 (2)	0.057 (3)	0.028 (2)	−0.003 (2)	−0.0008 (18)	−0.007 (2)
C5	0.050 (3)	0.030 (2)	0.042 (3)	−0.002 (2)	0.008 (2)	−0.013 (2)
C6	0.056 (3)	0.037 (3)	0.048 (3)	−0.015 (2)	0.021 (2)	−0.006 (2)
C7	0.033 (3)	0.046 (3)	0.059 (3)	−0.012 (2)	0.014 (2)	−0.013 (2)
C8	0.032 (2)	0.041 (3)	0.046 (3)	−0.006 (2)	0.0054 (19)	−0.010 (2)
C9	0.024 (2)	0.035 (2)	0.035 (2)	0.0034 (17)	−0.0006 (17)	−0.0043 (19)
C10	0.030 (2)	0.042 (2)	0.028 (2)	0.0017 (19)	0.0023 (17)	−0.0077 (19)
C11	0.027 (2)	0.030 (2)	0.025 (2)	0.0009 (17)	0.0024 (17)	−0.0107 (17)
C12	0.028 (2)	0.038 (2)	0.023 (2)	−0.0013 (18)	0.0014 (17)	−0.0117 (18)
C13	0.036 (2)	0.031 (2)	0.028 (2)	−0.0030 (18)	0.0096 (18)	−0.0100 (18)
C14	0.029 (2)	0.033 (2)	0.027 (2)	−0.0059 (18)	0.0062 (17)	−0.0111 (18)
C15	0.038 (2)	0.038 (3)	0.032 (2)	−0.005 (2)	0.0009 (19)	0.0012 (19)
C16	0.048 (3)	0.041 (3)	0.041 (3)	−0.019 (2)	0.014 (2)	−0.007 (2)
C17	0.037 (3)	0.061 (3)	0.033 (3)	−0.017 (2)	0.008 (2)	−0.012 (2)
C18	0.031 (2)	0.055 (3)	0.029 (2)	0.005 (2)	−0.0023 (18)	−0.005 (2)
C19	0.056 (3)	0.042 (3)	0.053 (3)	−0.004 (2)	0.016 (2)	0.000 (2)
C20	0.067 (4)	0.041 (3)	0.072 (4)	−0.017 (3)	0.024 (3)	−0.017 (3)
C21	0.063 (4)	0.063 (4)	0.062 (3)	−0.031 (3)	0.015 (3)	−0.024 (3)
C22	0.052 (3)	0.066 (3)	0.036 (3)	−0.027 (2)	0.006 (2)	−0.009 (2)
C23	0.037 (2)	0.042 (3)	0.022 (2)	−0.0040 (19)	−0.0003 (17)	0.0047 (19)
C24	0.039 (2)	0.045 (3)	0.028 (2)	0.004 (2)	0.0040 (19)	0.001 (2)
C25	0.032 (2)	0.038 (2)	0.022 (2)	−0.0082 (18)	0.0043 (17)	0.0012 (18)
C26	0.027 (2)	0.045 (3)	0.024 (2)	−0.0034 (19)	0.0029 (17)	−0.0023 (19)
C27	0.044 (3)	0.036 (3)	0.030 (2)	−0.007 (2)	0.0108 (19)	−0.004 (2)
C28	0.035 (2)	0.046 (3)	0.022 (2)	−0.014 (2)	0.0078 (18)	−0.0038 (19)
C29	0.032 (2)	0.050 (3)	0.032 (2)	−0.010 (2)	−0.0037 (18)	−0.002 (2)
C30	0.055 (3)	0.058 (3)	0.092 (4)	−0.026 (3)	−0.009 (3)	−0.013 (3)
C31	0.076 (4)	0.053 (3)	0.140 (6)	−0.030 (3)	−0.020 (4)	0.011 (4)
C32	0.053 (3)	0.033 (2)	0.040 (2)	−0.001 (2)	0.005 (2)	0.004 (2)
C33	0.058 (3)	0.062 (3)	0.060 (3)	−0.026 (3)	0.014 (2)	−0.021 (3)
C34	0.064 (3)	0.094 (4)	0.041 (3)	−0.016 (3)	−0.015 (3)	−0.015 (3)
C35	0.066 (4)	0.081 (4)	0.040 (3)	0.003 (3)	−0.011 (2)	−0.003 (3)
C36	0.071 (4)	0.049 (3)	0.051 (3)	0.020 (3)	0.003 (3)	0.009 (2)
C37	0.066 (3)	0.043 (3)	0.054 (3)	−0.001 (2)	0.019 (3)	0.007 (2)
C38	0.054 (3)	0.040 (3)	0.067 (3)	−0.021 (2)	0.020 (3)	−0.015 (2)
K2	0.0336 (7)	0.0359 (7)	0.0297 (7)	−0.0080 (6)	0.0011 (5)	−0.0015 (6)
C39	0.048 (3)	0.038 (3)	0.048 (3)	−0.018 (2)	−0.004 (2)	0.005 (2)
C40	0.037 (2)	0.037 (2)	0.040 (2)	−0.0079 (19)	−0.0045 (19)	−0.011 (2)
C41	0.033 (2)	0.042 (3)	0.034 (2)	−0.0061 (19)	−0.0041 (18)	−0.011 (2)
C42	0.044 (3)	0.040 (2)	0.030 (2)	−0.006 (2)	−0.0063 (19)	−0.004 (2)
C43	0.045 (3)	0.050 (3)	0.025 (2)	−0.008 (2)	0.0001 (19)	−0.003 (2)
C44	0.041 (3)	0.051 (3)	0.034 (2)	−0.018 (2)	−0.0033 (19)	0.009 (2)
O8	0.032 (4)	0.066 (5)	0.033 (3)	−0.002 (3)	0.000 (2)	−0.002 (3)
C45	0.050 (5)	0.066 (7)	0.038 (4)	−0.001 (6)	−0.008 (4)	−0.004 (6)
C46	0.060 (7)	0.162 (14)	0.064 (7)	−0.042 (9)	−0.001 (6)	−0.014 (8)
C47	0.044 (6)	0.066 (10)	0.057 (6)	−0.009 (6)	0.013 (5)	−0.009 (7)
C48	0.041 (5)	0.042 (8)	0.028 (4)	0.004 (5)	−0.004 (4)	0.000 (4)
O8'	0.060 (6)	0.047 (6)	0.053 (5)	−0.023 (5)	0.016 (4)	−0.010 (5)
C45'	0.043 (7)	0.027 (6)	0.057 (8)	−0.006 (5)	0.008 (6)	−0.007 (6)
C46'	0.056 (11)	0.046 (9)	0.038 (6)	−0.004 (8)	0.010 (6)	0.015 (6)
C47'	0.055 (10)	0.050 (11)	0.041 (7)	−0.013 (8)	0.005 (7)	−0.008 (7)
C48'	0.049 (9)	0.052 (7)	0.041 (7)	−0.019 (6)	0.009 (6)	−0.010 (6)
O9	0.051 (2)	0.114 (3)	0.109 (3)	−0.023 (2)	0.006 (2)	0.012 (3)
C49	0.060 (4)	0.095 (5)	0.132 (6)	−0.025 (3)	−0.053 (4)	0.040 (4)
C50	0.068 (4)	0.084 (4)	0.066 (4)	−0.013 (3)	−0.018 (3)	0.020 (3)
C51	0.041 (3)	0.059 (3)	0.041 (3)	−0.002 (2)	0.000 (2)	−0.001 (2)
C52	0.063 (3)	0.049 (3)	0.050 (3)	−0.003 (2)	0.008 (3)	−0.003 (2)

Geometric parameters (Å, º)

V1—O1	2.135 (2)	C25—C26	1.433 (5)
V1—C2	2.191 (4)	C27—C28	1.410 (5)
V1—C16	2.200 (4)	C29—C30	1.497 (5)
V1—C3	2.203 (4)	C29—H29A	0.9900
V1—C17	2.208 (4)	C29—H29B	0.9900
V1—C15	2.291 (4)	C30—C31	1.460 (6)
V1—C1	2.293 (4)	C30—H30A	0.9900
V1—C18	2.304 (4)	C30—H30B	0.9900
V1—C4	2.307 (4)	C31—C32	1.503 (6)
K1—O4^i	2.791 (3)	C31—H31A	0.9900
K1—O4	2.791 (3)	C31—H31B	0.9900
K1—O2	2.796 (3)	C32—H32A	0.9900
K1—O2^i	2.796 (3)	C32—H32B	0.9900
K1—O3	2.802 (3)	C33—C38^i	1.487 (6)
K1—O3^i	2.802 (3)	C33—H33A	0.9900
K1—C20^i	3.263 (5)	C33—H33B	0.9900
K1—C20	3.264 (5)	C34—C35	1.496 (6)
K1—C19	3.487 (4)	C34—H34A	0.9900
K1—C19^i	3.487 (4)	C34—H34B	0.9900
K1—H20	2.97 (4)	C35—H35A	0.9900
O1—C32	1.437 (4)	C35—H35B	0.9900
O1—C29	1.458 (4)	C36—C37	1.483 (6)
O2—C33	1.401 (5)	C36—H36A	0.9900
O2—C34	1.416 (5)	C36—H36B	0.9900
O3—C35	1.414 (5)	C37—H37A	0.9900
O3—C36	1.428 (5)	C37—H37B	0.9900
O4—C37	1.411 (5)	C38—H38A	0.9900
O4—C38	1.429 (5)	C38—H38B	0.9900
O5—C39	1.413 (4)	K2—O8^ii	2.797 (6)
O5—C40	1.429 (4)	K2—O8	2.797 (6)
O5—K2	2.817 (2)	K2—O8'	2.801 (10)
O6—C42	1.416 (4)	K2—O8'^ii	2.801 (10)
O6—C41	1.429 (4)	C39—C44^ii	1.487 (5)
O6—K2	2.751 (2)	C39—H39A	0.9900
O7—C44	1.421 (4)	C39—H39B	0.9900
O7—C43	1.433 (4)	C40—C41	1.485 (5)
O7—K2	2.830 (2)	C40—H40A	0.9900
C1—C2	1.430 (5)	C40—H40B	0.9900
C1—C11	1.454 (5)	C41—H41A	0.9900
C1—H1	0.99 (3)	C41—H41B	0.9900
C2—C3	1.371 (6)	C42—C43	1.494 (5)
C2—H2	0.90 (4)	C42—H42A	0.9900
C3—C4	1.409 (6)	C42—H42B	0.9900
C3—H3	0.92 (4)	C43—H43A	0.9900
C4—C12	1.454 (5)	C43—H43B	0.9900
C4—H4	0.91 (4)	C44—H44A	0.9900
C5—C6	1.385 (5)	C44—H44B	0.9900
C5—C13	1.404 (5)	O8—C45	1.419 (9)
C5—H5	0.9500	O8—C48	1.437 (12)
C6—C7	1.391 (6)	C45—C46	1.474 (14)
C6—H6	0.9500	C45—H45A	0.9900
C7—C8	1.367 (5)	C45—H45B	0.9900
C7—H7	0.9500	C46—C47	1.529 (18)
C8—C14	1.409 (5)	C46—H46A	0.9900
C8—H8	0.9500	C46—H46B	0.9900
C9—C11	1.375 (5)	C47—C48	1.500 (17)
C9—C14	1.416 (5)	C47—H47A	0.9900
C9—H9	0.9500	C47—H47B	0.9900
C10—C12	1.372 (5)	C48—H48A	0.9900
C10—C13	1.418 (5)	C48—H48B	0.9900
C10—H10	0.9500	O8'—C48'	1.417 (12)
C11—C12	1.445 (5)	O8'—C45'	1.442 (14)
C13—C14	1.431 (5)	C45'—C46'	1.48 (2)
C15—C16	1.431 (5)	C45'—H45C	0.9900
C15—C25	1.449 (5)	C45'—H45D	0.9900
C15—H15	0.99 (4)	C46'—C47'	1.55 (2)
C16—C17	1.379 (6)	C46'—H46C	0.9900
C16—H16	0.92 (4)	C46'—H46D	0.9900
C17—C18	1.415 (6)	C47'—C48'	1.492 (16)
C17—H17	0.93 (4)	C47'—H47C	0.9900
C18—C26	1.456 (5)	C47'—H47D	0.9900
C18—H18	0.93 (4)	C48'—H48C	0.9900
C19—C20	1.378 (6)	C48'—H48D	0.9900
C19—C27	1.411 (6)	O9—C52	1.389 (5)
C19—H19	0.92 (4)	O9—C49	1.420 (6)
C20—C21	1.375 (7)	C49—C50	1.496 (7)
C20—H20	0.97 (4)	C49—H49A	0.9900
C21—C22	1.378 (6)	C49—H49B	0.9900
C21—H21	0.9500	C50—C51	1.503 (6)
C22—C28	1.412 (5)	C50—H50A	0.9900
C22—H22	0.9500	C50—H50B	0.9900
C23—C25	1.386 (5)	C51—C52	1.500 (5)
C23—C28	1.418 (5)	C51—H51A	0.9900
C23—H23	0.9500	C51—H51B	0.9900
C24—C26	1.378 (5)	C52—H52A	0.9900
C24—C27	1.429 (5)	C52—H52B	0.9900
C24—H24	0.9500
O1—V1—C2	125.52 (13)	C28—C27—C19	118.5 (4)
O1—V1—C16	128.10 (13)	C28—C27—C24	118.1 (4)
C2—V1—C16	92.81 (16)	C19—C27—C24	123.4 (4)
O1—V1—C3	129.04 (13)	C27—C28—C22	118.9 (4)
C2—V1—C3	36.36 (15)	C27—C28—C23	119.2 (3)
C16—V1—C3	102.74 (16)	C22—C28—C23	121.9 (4)
O1—V1—C17	128.08 (13)	O1—C29—C30	105.0 (3)
C2—V1—C17	106.33 (16)	O1—C29—H29A	110.7
C16—V1—C17	36.45 (15)	C30—C29—H29A	110.7
C3—V1—C17	93.65 (15)	O1—C29—H29B	110.7
O1—V1—C15	92.98 (12)	C30—C29—H29B	110.7
C2—V1—C15	109.40 (16)	H29A—C29—H29B	108.8
C16—V1—C15	37.09 (14)	C31—C30—C29	104.8 (4)
C3—V1—C15	134.97 (16)	C31—C30—H30A	110.8
C17—V1—C15	64.74 (16)	C29—C30—H30A	110.8
O1—V1—C1	89.61 (12)	C31—C30—H30B	110.8
C2—V1—C1	37.10 (14)	C29—C30—H30B	110.8
C16—V1—C1	113.07 (16)	H30A—C30—H30B	108.9
C3—V1—C1	64.51 (15)	C30—C31—C32	105.3 (4)
C17—V1—C1	140.27 (16)	C30—C31—H31A	110.7
C15—V1—C1	106.47 (15)	C32—C31—H31A	110.7
O1—V1—C18	93.51 (13)	C30—C31—H31B	110.7
C2—V1—C18	140.06 (16)	C32—C31—H31B	110.7
C16—V1—C18	64.18 (17)	H31A—C31—H31B	108.8
C3—V1—C18	113.93 (15)	O1—C32—C31	105.7 (3)
C17—V1—C18	36.48 (15)	O1—C32—H32A	110.6
C15—V1—C18	72.47 (15)	C31—C32—H32A	110.6
C1—V1—C18	176.75 (16)	O1—C32—H32B	110.6
O1—V1—C4	95.73 (13)	C31—C32—H32B	110.6
C2—V1—C4	63.99 (17)	H32A—C32—H32B	108.7
C16—V1—C4	134.89 (15)	O2—C33—C38^i	109.4 (4)
C3—V1—C4	36.32 (14)	O2—C33—H33A	109.8
C17—V1—C4	110.48 (15)	C38^i—C33—H33A	109.8
C15—V1—C4	171.15 (15)	O2—C33—H33B	109.8
C1—V1—C4	72.11 (15)	C38^i—C33—H33B	109.8
C18—V1—C4	108.44 (15)	H33A—C33—H33B	108.2
O4^i—K1—O4	180.0	O2—C34—C35	109.2 (4)
O4^i—K1—O2	60.96 (9)	O2—C34—H34A	109.8
O4—K1—O2	119.04 (9)	C35—C34—H34A	109.8
O4^i—K1—O2^i	119.04 (9)	O2—C34—H34B	109.8
O4—K1—O2^i	60.96 (9)	C35—C34—H34B	109.8
O2—K1—O2^i	180.0	H34A—C34—H34B	108.3
O4^i—K1—O3	119.05 (8)	O3—C35—C34	108.6 (4)
O4—K1—O3	60.95 (8)	O3—C35—H35A	110.0
O2—K1—O3	59.65 (9)	C34—C35—H35A	110.0
O2^i—K1—O3	120.35 (9)	O3—C35—H35B	110.0
O4^i—K1—O3^i	60.96 (8)	C34—C35—H35B	110.0
O4—K1—O3^i	119.05 (8)	H35A—C35—H35B	108.3
O2—K1—O3^i	120.35 (9)	O3—C36—C37	109.0 (4)
O2^i—K1—O3^i	59.65 (9)	O3—C36—H36A	109.9
O3—K1—O3^i	180.0	C37—C36—H36A	109.9
O4^i—K1—C20^i	88.03 (11)	O3—C36—H36B	109.9
O4—K1—C20^i	91.97 (11)	C37—C36—H36B	109.9
O2—K1—C20^i	76.24 (11)	H36A—C36—H36B	108.3
O2^i—K1—C20^i	103.76 (11)	O4—C37—C36	109.1 (4)
O3—K1—C20^i	90.58 (12)	O4—C37—H37A	109.9
O3^i—K1—C20^i	89.42 (12)	C36—C37—H37A	109.9
O4^i—K1—C20	91.97 (11)	O4—C37—H37B	109.9
O4—K1—C20	88.03 (11)	C36—C37—H37B	109.9
O2—K1—C20	103.76 (11)	H37A—C37—H37B	108.3
O2^i—K1—C20	76.24 (11)	O4—C38—C33^i	109.1 (3)
O3—K1—C20	89.42 (12)	O4—C38—H38A	109.9
O3^i—K1—C20	90.58 (12)	C33^i—C38—H38A	109.9
C20^i—K1—C20	180.0	O4—C38—H38B	109.9
O4^i—K1—C19	83.09 (9)	C33^i—C38—H38B	109.9
O4—K1—C19	96.91 (9)	H38A—C38—H38B	108.3
O2—K1—C19	80.66 (10)	O6—K2—O6^ii	180.00 (4)
O2^i—K1—C19	99.34 (10)	O6—K2—O8^ii	106.19 (13)
O3—K1—C19	75.28 (10)	O6^ii—K2—O8^ii	73.82 (13)
O3^i—K1—C19	104.72 (10)	O6—K2—O8	73.81 (13)
C20^i—K1—C19	156.74 (11)	O6^ii—K2—O8	106.19 (13)
C20—K1—C19	23.26 (11)	O8^ii—K2—O8	180.0 (2)
O4^i—K1—C19^i	96.91 (9)	O6—K2—O8'	100.28 (19)
O4—K1—C19^i	83.09 (9)	O6^ii—K2—O8'	79.72 (19)
O2—K1—C19^i	99.34 (10)	O6—K2—O8'^ii	79.72 (19)
O2^i—K1—C19^i	80.66 (10)	O6^ii—K2—O8'^ii	100.28 (19)
O3—K1—C19^i	104.72 (10)	O8^ii—K2—O8'^ii	30.5 (2)
O3^i—K1—C19^i	75.28 (10)	O8—K2—O8'^ii	149.5 (2)
C20^i—K1—C19^i	23.26 (11)	O8'—K2—O8'^ii	180.0
C20—K1—C19^i	156.74 (11)	O6—K2—O5^ii	118.35 (7)
C19—K1—C19^i	180.0	O6^ii—K2—O5^ii	61.65 (7)
O4^i—K1—H20	109.0 (9)	O8^ii—K2—O5^ii	75.54 (13)
O4—K1—H20	71.0 (9)	O8—K2—O5^ii	104.46 (13)
O2—K1—H20	113.7 (8)	O6—K2—O5	61.65 (7)
O2^i—K1—H20	66.3 (8)	O6^ii—K2—O5	118.35 (7)
O3—K1—H20	83.4 (8)	O8^ii—K2—O5	104.46 (13)
O3^i—K1—H20	96.6 (8)	O8—K2—O5	75.54 (13)
C20^i—K1—H20	162.8 (8)	O8'—K2—O5	101.26 (18)
C20—K1—H20	17.2 (8)	O8'^ii—K2—O5	78.74 (18)
C19—K1—H20	35.1 (8)	O5^ii—K2—O5	180.0
C19^i—K1—H20	144.9 (8)	O6—K2—O7	59.91 (7)
C32—O1—C29	109.8 (3)	O6^ii—K2—O7	120.09 (7)
C32—O1—V1	126.8 (2)	O8^ii—K2—O7	80.33 (14)
C29—O1—V1	123.4 (2)	O8—K2—O7	99.67 (14)
C33—O2—C34	112.9 (3)	O8'—K2—O7	100.6 (2)
C33—O2—K1	113.3 (2)	O8'^ii—K2—O7	79.4 (2)
C34—O2—K1	117.0 (3)	O5^ii—K2—O7	59.90 (7)
C35—O3—C36	112.4 (3)	O5—K2—O7	120.10 (7)
C35—O3—K1	114.9 (3)	O6—K2—O7^ii	120.09 (7)
C36—O3—K1	114.1 (2)	O6^ii—K2—O7^ii	59.91 (7)
C37—O4—C38	111.5 (3)	O8^ii—K2—O7^ii	99.67 (14)
C37—O4—K1	112.0 (2)	O8—K2—O7^ii	80.33 (14)
C38—O4—K1	113.6 (2)	O5^ii—K2—O7^ii	120.10 (7)
C39—O5—C40	113.0 (3)	O5—K2—O7^ii	59.90 (7)
C39—O5—K2	114.4 (2)	O7—K2—O7^ii	180.0
C40—O5—K2	110.9 (2)	O5—C39—C44^ii	109.4 (3)
C42—O6—C41	111.7 (3)	O5—C39—H39A	109.8
C42—O6—K2	117.9 (2)	C44^ii—C39—H39A	109.8
C41—O6—K2	114.7 (2)	O5—C39—H39B	109.8
C44—O7—C43	112.0 (3)	C44^ii—C39—H39B	109.8
C44—O7—K2	114.5 (2)	H39A—C39—H39B	108.2
C43—O7—K2	114.4 (2)	O5—C40—C41	109.4 (3)
C2—C1—C11	119.6 (4)	O5—C40—H40A	109.8
C2—C1—V1	67.6 (2)	C41—C40—H40A	109.8
C11—C1—V1	99.9 (2)	O5—C40—H40B	109.8
C2—C1—H1	120 (2)	C41—C40—H40B	109.8
C11—C1—H1	116 (2)	H40A—C40—H40B	108.2
V1—C1—H1	121 (2)	O6—C41—C40	108.9 (3)
C3—C2—C1	118.0 (4)	O6—C41—H41A	109.9
C3—C2—V1	72.3 (2)	C40—C41—H41A	109.9
C1—C2—V1	75.3 (2)	O6—C41—H41B	109.9
C3—C2—H2	122 (3)	C40—C41—H41B	109.9
C1—C2—H2	120 (3)	H41A—C41—H41B	108.3
V1—C2—H2	117 (2)	O6—C42—C43	109.1 (3)
C2—C3—C4	118.2 (4)	O6—C42—H42A	109.9
C2—C3—V1	71.3 (2)	C43—C42—H42A	109.9
C4—C3—V1	75.8 (2)	O6—C42—H42B	109.9
C2—C3—H3	125 (2)	C43—C42—H42B	109.9
C4—C3—H3	117 (2)	H42A—C42—H42B	108.3
V1—C3—H3	122 (2)	O7—C43—C42	108.6 (3)
C3—C4—C12	120.6 (4)	O7—C43—H43A	110.0
C3—C4—V1	67.8 (2)	C42—C43—H43A	110.0
C12—C4—V1	99.6 (2)	O7—C43—H43B	110.0
C3—C4—H4	120 (2)	C42—C43—H43B	110.0
C12—C4—H4	116 (2)	H43A—C43—H43B	108.4
V1—C4—H4	121 (2)	O7—C44—C39^ii	108.5 (3)
C6—C5—C13	120.9 (4)	O7—C44—H44A	110.0
C6—C5—H5	119.5	C39^ii—C44—H44A	110.0
C13—C5—H5	119.5	O7—C44—H44B	110.0
C5—C6—C7	119.9 (4)	C39^ii—C44—H44B	110.0
C5—C6—H6	120.0	H44A—C44—H44B	108.4
C7—C6—H6	120.0	C45—O8—C48	105.7 (8)
C8—C7—C6	120.6 (4)	C45—O8—K2	103.5 (7)
C8—C7—H7	119.7	C48—O8—K2	120.6 (7)
C6—C7—H7	119.7	O8—C45—C46	104.8 (10)
C7—C8—C14	121.1 (4)	O8—C45—H45A	110.8
C7—C8—H8	119.4	C46—C45—H45A	110.8
C14—C8—H8	119.4	O8—C45—H45B	110.8
C11—C9—C14	122.9 (4)	C46—C45—H45B	110.8
C11—C9—H9	118.5	H45A—C45—H45B	108.9
C14—C9—H9	118.5	C45—C46—C47	104.2 (10)
C12—C10—C13	122.6 (4)	C45—C46—H46A	110.9
C12—C10—H10	118.7	C47—C46—H46A	110.9
C13—C10—H10	118.7	C45—C46—H46B	110.9
C9—C11—C12	118.5 (3)	C47—C46—H46B	110.9
C9—C11—C1	125.2 (4)	H46A—C46—H46B	108.9
C12—C11—C1	116.0 (3)	C48—C47—C46	103.3 (9)
C10—C12—C11	119.3 (3)	C48—C47—H47A	111.1
C10—C12—C4	125.2 (4)	C46—C47—H47A	111.1
C11—C12—C4	115.4 (3)	C48—C47—H47B	111.1
C5—C13—C10	123.0 (4)	C46—C47—H47B	111.1
C5—C13—C14	118.7 (4)	H47A—C47—H47B	109.1
C10—C13—C14	118.3 (3)	O8—C48—C47	107.5 (9)
C8—C14—C9	123.1 (4)	O8—C48—H48A	110.2
C8—C14—C13	118.6 (4)	C47—C48—H48A	110.2
C9—C14—C13	118.3 (3)	O8—C48—H48B	110.2
C16—C15—C25	119.1 (4)	C47—C48—H48B	110.2
C16—C15—V1	68.0 (2)	H48A—C48—H48B	108.5
C25—C15—V1	99.5 (3)	C48'—O8'—C45'	106.9 (10)
C16—C15—H15	119 (2)	C48'—O8'—K2	103.7 (10)
C25—C15—H15	117 (2)	C45'—O8'—K2	117.9 (10)
V1—C15—H15	124 (2)	O8'—C45'—C46'	105.5 (12)
C17—C16—C15	118.1 (4)	O8'—C45'—H45C	110.6
C17—C16—V1	72.1 (2)	C46'—C45'—H45C	110.6
C15—C16—V1	74.9 (2)	O8'—C45'—H45D	110.6
C17—C16—H16	124 (3)	C46'—C45'—H45D	110.6
C15—C16—H16	118 (3)	H45C—C45'—H45D	108.8
V1—C16—H16	118 (2)	C45'—C46'—C47'	104.8 (10)
C16—C17—C18	118.0 (4)	C45'—C46'—H46C	110.8
C16—C17—V1	71.5 (2)	C47'—C46'—H46C	110.8
C18—C17—V1	75.5 (2)	C45'—C46'—H46D	110.8
C16—C17—H17	122 (2)	C47'—C46'—H46D	110.8
C18—C17—H17	120 (2)	H46C—C46'—H46D	108.9
V1—C17—H17	119 (2)	C48'—C47'—C46'	104.1 (11)
C17—C18—C26	119.4 (4)	C48'—C47'—H47C	110.9
C17—C18—V1	68.0 (2)	C46'—C47'—H47C	110.9
C26—C18—V1	99.7 (2)	C48'—C47'—H47D	110.9
C17—C18—H18	121 (2)	C46'—C47'—H47D	110.9
C26—C18—H18	116 (2)	H47C—C47'—H47D	109.0
V1—C18—H18	121 (2)	O8'—C48'—C47'	106.1 (11)
C20—C19—C27	121.4 (5)	O8'—C48'—H48C	110.5
C20—C19—K1	69.2 (3)	C47'—C48'—H48C	110.5
C27—C19—K1	122.5 (3)	O8'—C48'—H48D	110.5
C20—C19—H19	118 (3)	C47'—C48'—H48D	110.5
C27—C19—H19	121 (3)	H48C—C48'—H48D	108.7
K1—C19—H19	79 (3)	C52—O9—C49	109.1 (4)
C21—C20—C19	119.8 (5)	O9—C49—C50	107.5 (4)
C21—C20—K1	113.3 (3)	O9—C49—H49A	110.2
C19—C20—K1	87.5 (3)	C50—C49—H49A	110.2
C21—C20—H20	124 (3)	O9—C49—H49B	110.2
C19—C20—H20	116 (3)	C50—C49—H49B	110.2
K1—C20—H20	64 (3)	H49A—C49—H49B	108.5
C20—C21—C22	120.8 (5)	C49—C50—C51	102.1 (4)
C20—C21—H21	119.6	C49—C50—H50A	111.3
C22—C21—H21	119.6	C51—C50—H50A	111.3
C21—C22—C28	120.6 (5)	C49—C50—H50B	111.3
C21—C22—H22	119.7	C51—C50—H50B	111.3
C28—C22—H22	119.7	H50A—C50—H50B	109.2
C25—C23—C28	122.3 (4)	C52—C51—C50	102.2 (4)
C25—C23—H23	118.9	C52—C51—H51A	111.3
C28—C23—H23	118.9	C50—C51—H51A	111.3
C26—C24—C27	122.2 (4)	C52—C51—H51B	111.3
C26—C24—H24	118.9	C50—C51—H51B	111.3
C27—C24—H24	118.9	H51A—C51—H51B	109.2
C23—C25—C26	118.5 (3)	O9—C52—C51	107.7 (4)
C23—C25—C15	124.8 (4)	O9—C52—H52A	110.2
C26—C25—C15	116.5 (3)	C51—C52—H52A	110.2
C24—C26—C25	119.6 (3)	O9—C52—H52B	110.2
C24—C26—C18	124.2 (4)	C51—C52—H52B	110.2
C25—C26—C18	115.9 (3)	H52A—C52—H52B	108.5
C11—C1—C2—C3	28.5 (5)	V1—C18—C26—C25	40.0 (4)
V1—C1—C2—C3	−60.3 (3)	C20—C19—C27—C28	0.4 (6)
C11—C1—C2—V1	88.8 (3)	K1—C19—C27—C28	84.4 (4)
C1—C2—C3—C4	0.2 (6)	C20—C19—C27—C24	178.0 (4)
V1—C2—C3—C4	−61.7 (3)	K1—C19—C27—C24	−97.9 (4)
C1—C2—C3—V1	61.9 (3)	C26—C24—C27—C28	2.1 (5)
C2—C3—C4—C12	−28.8 (5)	C26—C24—C27—C19	−175.5 (4)
V1—C3—C4—C12	−88.2 (3)	C19—C27—C28—C22	−1.4 (5)
C2—C3—C4—V1	59.4 (3)	C24—C27—C28—C22	−179.2 (3)
C13—C5—C6—C7	1.0 (6)	C19—C27—C28—C23	178.2 (3)
C5—C6—C7—C8	−1.5 (6)	C24—C27—C28—C23	0.5 (5)
C6—C7—C8—C14	0.2 (6)	C21—C22—C28—C27	1.5 (6)
C14—C9—C11—C12	−0.5 (5)	C21—C22—C28—C23	−178.2 (4)
C14—C9—C11—C1	173.4 (3)	C25—C23—C28—C27	−2.4 (5)
C2—C1—C11—C9	157.7 (4)	C25—C23—C28—C22	177.3 (3)
V1—C1—C11—C9	−132.6 (3)	C32—O1—C29—C30	12.8 (4)
C2—C1—C11—C12	−28.2 (5)	V1—O1—C29—C30	−167.6 (3)
V1—C1—C11—C12	41.5 (3)	O1—C29—C30—C31	−27.2 (5)
C13—C10—C12—C11	2.8 (5)	C29—C30—C31—C32	31.0 (6)
C13—C10—C12—C4	−174.4 (3)	C29—O1—C32—C31	6.2 (4)
C9—C11—C12—C10	−2.3 (5)	V1—O1—C32—C31	−173.4 (3)
C1—C11—C12—C10	−176.8 (3)	C30—C31—C32—O1	−23.3 (5)
C9—C11—C12—C4	175.1 (3)	C34—O2—C33—C38^i	173.1 (4)
C1—C11—C12—C4	0.6 (4)	K1—O2—C33—C38^i	−50.8 (4)
C3—C4—C12—C10	−154.9 (4)	C33—O2—C34—C35	177.6 (4)
V1—C4—C12—C10	135.2 (3)	K1—O2—C34—C35	43.3 (5)
C3—C4—C12—C11	27.8 (5)	C36—O3—C35—C34	−175.7 (4)
V1—C4—C12—C11	−42.1 (3)	K1—O3—C35—C34	51.7 (4)
C6—C5—C13—C10	−179.2 (3)	O2—C34—C35—O3	−62.6 (5)
C6—C5—C13—C14	0.8 (5)	C35—O3—C36—C37	−177.6 (4)
C12—C10—C13—C5	179.6 (3)	K1—O3—C36—C37	−44.5 (4)
C12—C10—C13—C14	−0.4 (5)	C38—O4—C37—C36	176.5 (3)
C7—C8—C14—C9	−178.0 (3)	K1—O4—C37—C36	−55.0 (4)
C7—C8—C14—C13	1.7 (5)	O3—C36—C37—O4	67.7 (4)
C11—C9—C14—C8	−177.4 (3)	C37—O4—C38—C33^i	175.5 (3)
C11—C9—C14—C13	2.9 (5)	K1—O4—C38—C33^i	47.9 (4)
C5—C13—C14—C8	−2.1 (5)	C40—O5—C39—C44^ii	178.1 (3)
C10—C13—C14—C8	177.9 (3)	K2—O5—C39—C44^ii	50.0 (4)
C5—C13—C14—C9	177.6 (3)	C39—O5—C40—C41	178.3 (3)
C10—C13—C14—C9	−2.4 (5)	K2—O5—C40—C41	−51.7 (3)
C25—C15—C16—C17	−29.1 (5)	C42—O6—C41—C40	174.9 (3)
V1—C15—C16—C17	59.6 (3)	K2—O6—C41—C40	−47.7 (3)
C25—C15—C16—V1	−88.8 (3)	O5—C40—C41—O6	67.8 (4)
C15—C16—C17—C18	0.4 (6)	C41—O6—C42—C43	−176.9 (3)
V1—C16—C17—C18	61.5 (3)	K2—O6—C42—C43	47.2 (4)
C15—C16—C17—V1	−61.1 (3)	C44—O7—C43—C42	−179.9 (3)
C16—C17—C18—C26	29.5 (5)	K2—O7—C43—C42	47.8 (3)
V1—C17—C18—C26	88.9 (3)	O6—C42—C43—O7	−62.3 (4)
C16—C17—C18—V1	−59.4 (3)	C43—O7—C44—C39^ii	179.0 (3)
C27—C19—C20—C21	0.7 (7)	K2—O7—C44—C39^ii	−48.6 (4)
K1—C19—C20—C21	−115.6 (5)	C48—O8—C45—C46	38.8 (13)
C27—C19—C20—K1	116.2 (4)	K2—O8—C45—C46	−88.8 (10)
C19—C20—C21—C22	−0.6 (7)	O8—C45—C46—C47	−34.6 (17)
K1—C20—C21—C22	−101.7 (4)	C45—C46—C47—C48	17 (2)
C20—C21—C22—C28	−0.5 (7)	C45—O8—C48—C47	−27.5 (15)
C28—C23—C25—C26	1.7 (5)	K2—O8—C48—C47	89.2 (14)
C28—C23—C25—C15	−173.5 (3)	C46—C47—C48—O8	5 (2)
C16—C15—C25—C23	−157.2 (4)	C48'—O8'—C45'—C46'	35 (2)
V1—C15—C25—C23	132.8 (3)	K2—O8'—C45'—C46'	−81.0 (18)
C16—C15—C25—C26	27.5 (5)	O8'—C45'—C46'—C47'	−21 (3)
V1—C15—C25—C26	−42.6 (3)	C45'—C46'—C47'—C48'	0 (3)
C27—C24—C26—C25	−2.8 (5)	C45'—O8'—C48'—C47'	−35.1 (19)
C27—C24—C26—C18	171.7 (4)	K2—O8'—C48'—C47'	90.1 (14)
C23—C25—C26—C24	0.9 (5)	C46'—C47'—C48'—O8'	21 (2)
C15—C25—C26—C24	176.5 (3)	C52—O9—C49—C50	8.9 (6)
C23—C25—C26—C18	−174.0 (3)	O9—C49—C50—C51	−26.6 (6)
C15—C25—C26—C18	1.6 (5)	C49—C50—C51—C52	32.8 (5)
C17—C18—C26—C24	155.2 (4)	C49—O9—C52—C51	13.0 (5)
V1—C18—C26—C24	−134.6 (3)	C50—C51—C52—O9	−29.2 (5)
C17—C18—C26—C25	−30.1 (5)

Symmetry codes: (i) −x+2, −y, −z; (ii) −x+1, −y+2, −z+1.

(1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium bis(η⁴-anthracene)(trimethylphosphane)vanadium tetrahydrofuran monosolvate (6)

Crystal data

[K(C20H40O8)][V(C14H10)2(C3H9P)]·C4H8O	Z = 2
Mr = 1003.17	F(000) = 1072
Triclinic, P1	Dx = 1.249 Mg m^−3
a = 9.6431 (12) Å	Mo Kα radiation, λ = 0.71073 Å
b = 14.4883 (18) Å	Cell parameters from 2957 reflections
c = 20.804 (3) Å	θ = 2.3–25.0°
α = 74.992 (2)°	µ = 0.35 mm^−1
β = 84.667 (2)°	T = 173 K
γ = 71.815 (2)°	Block, green
V = 2667.0 (6) Å^3	0.40 × 0.20 × 0.20 mm

Data collection

Siemens SMART CCD platform diffractometer	6704 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.039
ω scans	θmax = 25.1°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→11
Tmin = 0.874, Tmax = 0.934	k = −17→17
23058 measured reflections	l = −24→24
9330 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.054	Hydrogen site location: mixed
wR(F^2) = 0.118	H atoms treated by a mixture of independent and constrained refinement
S = 1.07	w = 1/[σ^2(Fo^2) + (0.0392P)^2 + 2.0007P] where P = (Fo^2 + 2Fc^2)/3
9330 reflections	(Δ/σ)max = 0.001
773 parameters	Δρmax = 0.31 e Å^−3
409 restraints	Δρmin = −0.42 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. The positional parameters of the hydrogen atoms on the metal-coordinating carbon atoms were refined to best describe their true positions.

THF ligand O4/C38-C41 is modeled as disordered over two positions (0.815 (7):0.185 (7)) and THF ligand O8/C48-C51 is modeled as disordered over three positions (0.45 (1):0.39 (1):0.16 (1)).

Analogous bond lengths and angles among the disordered THF ligands were restrained to be similar. Anisotropic displacement parameters for proximal atoms were restrained to be similar and restrained toward the expected motion relative to bond direction.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
V1	0.14191 (5)	0.67738 (4)	0.82810 (2)	0.02842 (14)
P1	−0.12299 (8)	0.72274 (6)	0.80245 (4)	0.0333 (2)
C1	0.2684 (3)	0.5893 (2)	0.92309 (15)	0.0301 (7)
H1	0.291 (3)	0.620 (2)	0.9525 (15)	0.036*
C2	0.1276 (3)	0.5751 (2)	0.92835 (15)	0.0322 (7)
H2	0.059 (3)	0.597 (2)	0.9608 (15)	0.039*
C3	0.0926 (3)	0.5349 (2)	0.88069 (15)	0.0316 (7)
H3	0.001 (3)	0.523 (2)	0.8818 (14)	0.038*
C4	0.1979 (3)	0.5096 (2)	0.83079 (16)	0.0320 (7)
H4	0.172 (3)	0.487 (2)	0.7972 (15)	0.038*
C5	0.7249 (3)	0.3443 (2)	0.79159 (15)	0.0386 (8)
H5	0.701343	0.317400	0.758433	0.046*
C6	0.8693 (4)	0.3223 (2)	0.80726 (17)	0.0440 (9)
H6	0.943795	0.280351	0.785381	0.053*
C7	0.9056 (3)	0.3622 (2)	0.85545 (16)	0.0399 (8)
H7	1.005075	0.347975	0.865994	0.048*
C8	0.7976 (3)	0.4218 (2)	0.88759 (15)	0.0332 (7)
H8	0.824055	0.447642	0.920614	0.040*
C9	0.5344 (3)	0.50584 (19)	0.90630 (14)	0.0264 (6)
H9	0.558681	0.534034	0.938537	0.032*
C10	0.4616 (3)	0.4255 (2)	0.81069 (14)	0.0312 (7)
H10	0.436003	0.398307	0.778228	0.037*
C11	0.3896 (3)	0.52456 (19)	0.89342 (13)	0.0243 (6)
C12	0.3518 (3)	0.4829 (2)	0.84349 (13)	0.0262 (6)
C13	0.6114 (3)	0.4053 (2)	0.82333 (14)	0.0298 (7)
C14	0.6494 (3)	0.4457 (2)	0.87310 (14)	0.0278 (6)
C15	0.2101 (3)	0.7463 (2)	0.72187 (16)	0.0324 (7)
H15	0.227 (3)	0.713 (2)	0.6895 (15)	0.039*
C16	0.3252 (3)	0.7173 (2)	0.76805 (16)	0.0338 (7)
H16	0.412 (3)	0.664 (2)	0.7650 (14)	0.041*
C17	0.2998 (3)	0.7635 (2)	0.82006 (16)	0.0347 (7)
H17	0.370 (3)	0.744 (2)	0.8539 (15)	0.042*
C18	0.1610 (3)	0.8361 (2)	0.82346 (16)	0.0358 (7)
H18	0.141 (3)	0.866 (2)	0.8596 (15)	0.043*
C19	−0.1767 (4)	1.1440 (2)	0.6823 (2)	0.0589 (11)
H19	−0.197484	1.175784	0.718212	0.071*
C20	−0.2464 (5)	1.1928 (3)	0.6228 (3)	0.0731 (13)
H20	−0.315036	1.257459	0.617978	0.088*
C21	−0.2167 (4)	1.1479 (3)	0.5697 (2)	0.0686 (12)
H21	−0.264274	1.182354	0.528497	0.082*
C22	−0.1190 (4)	1.0538 (3)	0.57614 (19)	0.0519 (9)
H22	−0.100366	1.023883	0.539402	0.062*
C23	0.0540 (3)	0.9031 (2)	0.64598 (15)	0.0351 (7)
H23	0.077318	0.873080	0.609248	0.042*
C24	−0.0015 (3)	0.9946 (2)	0.75195 (17)	0.0405 (8)
H24	−0.016703	1.026881	0.787472	0.049*
C25	0.1181 (3)	0.8500 (2)	0.70642 (15)	0.0315 (7)
C26	0.0907 (3)	0.8983 (2)	0.76123 (15)	0.0329 (7)
C27	−0.0745 (3)	1.0472 (2)	0.69116 (18)	0.0426 (8)
C28	−0.0459 (3)	1.0010 (2)	0.63674 (17)	0.0396 (8)
C29	−0.1635 (4)	0.6493 (3)	0.75131 (17)	0.0484 (9)
H29A	−0.269525	0.666094	0.747409	0.073*
H29B	−0.123124	0.577818	0.772163	0.073*
H29C	−0.119720	0.664738	0.706932	0.073*
C30	−0.2472 (3)	0.7031 (2)	0.87313 (16)	0.0424 (8)
H30A	−0.341494	0.706816	0.856930	0.064*
H30B	−0.261139	0.754908	0.897492	0.064*
H30C	−0.205433	0.636958	0.902827	0.064*
C31	−0.2266 (4)	0.8493 (2)	0.75948 (19)	0.0534 (10)
H31A	−0.327749	0.851702	0.754329	0.080*
H31B	−0.182614	0.867750	0.715499	0.080*
H31C	−0.225084	0.896477	0.785540	0.080*
K1	0.500000	0.000000	1.000000	0.0319 (2)
O1	0.4224 (2)	−0.17579 (14)	1.04205 (10)	0.0369 (5)
O2	0.7082 (2)	−0.17985 (14)	0.99839 (10)	0.0363 (5)
O3	0.8013 (2)	−0.00662 (15)	0.98100 (10)	0.0365 (5)
C32	0.2744 (3)	−0.1698 (2)	1.03501 (16)	0.0389 (8)
H32A	0.255595	−0.232793	1.060398	0.047*
H32B	0.253243	−0.159594	0.987579	0.047*
C33	0.5225 (3)	−0.2592 (2)	1.02242 (16)	0.0393 (8)
H33A	0.515182	−0.251092	0.974004	0.047*
H33B	0.499415	−0.321395	1.046152	0.047*
C34	0.6737 (4)	−0.2660 (2)	1.03873 (16)	0.0416 (8)
H34A	0.679136	−0.268272	1.086423	0.050*
H34B	0.744067	−0.327675	1.029669	0.050*
C35	0.8558 (3)	−0.1830 (2)	1.00367 (18)	0.0434 (8)
H35A	0.922606	−0.244036	0.992115	0.052*
H35B	0.875611	−0.184825	1.049906	0.052*
C36	0.8806 (3)	−0.0922 (2)	0.95727 (17)	0.0422 (8)
H36A	0.985990	−0.098319	0.954586	0.051*
H36B	0.847428	−0.085275	0.912151	0.051*
C37	0.8201 (3)	0.0840 (2)	0.93909 (16)	0.0399 (8)
H37A	0.792780	0.091390	0.892907	0.048*
H37B	0.923578	0.082283	0.938860	0.048*
O4	0.5010 (5)	0.0235 (3)	0.86625 (17)	0.0623 (12)	0.815 (7)
C38	0.3935 (7)	−0.0098 (4)	0.8448 (3)	0.0645 (17)	0.815 (7)
H38A	0.341475	−0.041157	0.883393	0.077*	0.815 (7)
H38B	0.438233	−0.058855	0.817769	0.077*	0.815 (7)
C39	0.2904 (7)	0.0845 (5)	0.8035 (4)	0.091 (2)	0.815 (7)
H39A	0.249748	0.069793	0.766644	0.109*	0.815 (7)
H39B	0.208955	0.115367	0.831239	0.109*	0.815 (7)
C40	0.3829 (8)	0.1516 (5)	0.7773 (4)	0.094 (2)	0.815 (7)
H40A	0.336120	0.218530	0.786073	0.113*	0.815 (7)
H40B	0.399387	0.159499	0.728776	0.113*	0.815 (7)
C41	0.5243 (8)	0.1010 (6)	0.8138 (3)	0.060 (2)	0.815 (7)
H41A	0.602689	0.073354	0.783609	0.072*	0.815 (7)
H41B	0.553454	0.149308	0.831537	0.072*	0.815 (7)
O4'	0.419 (3)	0.0681 (17)	0.8714 (7)	0.081 (5)	0.185 (7)
C38'	0.320 (3)	0.029 (2)	0.8481 (11)	0.068 (5)	0.185 (7)
H38C	0.217997	0.069745	0.853210	0.081*	0.185 (7)
H38D	0.332120	−0.040978	0.872847	0.081*	0.185 (7)
C39'	0.360 (3)	0.035 (2)	0.7758 (10)	0.076 (6)	0.185 (7)
H39C	0.413305	−0.032185	0.769307	0.091*	0.185 (7)
H39D	0.270813	0.062433	0.748612	0.091*	0.185 (7)
C40'	0.453 (3)	0.101 (2)	0.7558 (9)	0.071 (6)	0.185 (7)
H40C	0.400592	0.164636	0.724489	0.086*	0.185 (7)
H40D	0.543554	0.068485	0.733961	0.086*	0.185 (7)
C41'	0.486 (5)	0.122 (3)	0.8186 (11)	0.067 (7)	0.185 (7)
H41C	0.593297	0.099480	0.825153	0.080*	0.185 (7)
H41D	0.448869	0.194248	0.816440	0.080*	0.185 (7)
K2	1.000000	0.500000	0.500000	0.0440 (3)
O5	1.0375 (3)	0.29683 (15)	0.52926 (11)	0.0474 (6)
O6	1.1351 (3)	0.37377 (16)	0.62033 (11)	0.0507 (6)
O7	1.0386 (3)	0.58458 (17)	0.60017 (11)	0.0521 (6)
C42	1.1244 (4)	0.2336 (2)	0.58431 (17)	0.0512 (9)
H42A	1.229190	0.220053	0.571868	0.061*
H42B	1.102219	0.168983	0.598290	0.061*
C43	1.0914 (4)	0.2850 (2)	0.63992 (17)	0.0517 (9)
H43A	0.985545	0.302301	0.650431	0.062*
H43B	1.144691	0.240072	0.680241	0.062*
C44	1.1191 (5)	0.4230 (3)	0.67292 (17)	0.0579 (10)
H44A	1.187876	0.380888	0.709073	0.069*
H44B	1.018492	0.434864	0.691426	0.069*
C45	1.1508 (5)	0.5209 (3)	0.64501 (18)	0.0604 (11)
H45A	1.154767	0.552331	0.681471	0.072*
H45B	1.246431	0.509555	0.621471	0.072*
C46	1.0527 (5)	0.6825 (3)	0.57669 (19)	0.0628 (11)
H46A	1.150069	0.678723	0.555688	0.075*
H46B	1.043599	0.713886	0.614481	0.075*
C47	0.9369 (5)	0.7444 (3)	0.52727 (17)	0.0545 (10)
H47A	0.839521	0.743939	0.546900	0.065*
H47B	0.939821	0.814515	0.514155	0.065*
O8	0.7227 (13)	0.5501 (14)	0.5475 (7)	0.087 (5)	0.388 (12)
C48	0.603 (2)	0.6311 (15)	0.5218 (8)	0.069 (5)	0.388 (12)
H48A	0.588376	0.635151	0.474603	0.082*	0.388 (12)
H48B	0.616589	0.694728	0.525140	0.082*	0.388 (12)
C49	0.4768 (13)	0.6110 (14)	0.5638 (7)	0.075 (4)	0.388 (12)
H49A	0.416759	0.586829	0.539691	0.090*	0.388 (12)
H49B	0.414507	0.672237	0.576615	0.090*	0.388 (12)
C50	0.5442 (14)	0.5320 (17)	0.6237 (8)	0.098 (5)	0.388 (12)
H50A	0.506200	0.554090	0.664794	0.117*	0.388 (12)
H50B	0.521703	0.469120	0.625574	0.117*	0.388 (12)
C51	0.7048 (15)	0.5160 (17)	0.6169 (8)	0.079 (5)	0.388 (12)
H51A	0.736122	0.555798	0.641602	0.095*	0.388 (12)
H51B	0.760026	0.444369	0.632816	0.095*	0.388 (12)
O8'	0.7529 (17)	0.508 (2)	0.5754 (12)	0.084 (5)	0.162 (9)
C48'	0.657 (3)	0.532 (4)	0.5240 (16)	0.072 (6)	0.162 (9)
H48C	0.650532	0.470302	0.513818	0.087*	0.162 (9)
H48D	0.690381	0.573053	0.483444	0.087*	0.162 (9)
C49'	0.513 (3)	0.589 (4)	0.547 (2)	0.088 (6)	0.162 (9)
H49C	0.439017	0.554568	0.547843	0.105*	0.162 (9)
H49D	0.479134	0.657241	0.517755	0.105*	0.162 (9)
C50'	0.535 (3)	0.595 (4)	0.616 (2)	0.097 (7)	0.162 (9)
H50C	0.497015	0.665265	0.620630	0.116*	0.162 (9)
H50D	0.484791	0.553628	0.649672	0.116*	0.162 (9)
C51'	0.695 (3)	0.556 (3)	0.6254 (16)	0.082 (7)	0.162 (9)
H51C	0.736056	0.612197	0.622283	0.099*	0.162 (9)
H51D	0.718822	0.509293	0.669622	0.099*	0.162 (9)
O8"	0.7093 (12)	0.5178 (12)	0.5375 (7)	0.093 (5)	0.451 (11)
C48"	0.596 (2)	0.6049 (14)	0.5134 (7)	0.083 (5)	0.451 (11)
H48E	0.521069	0.588976	0.492075	0.099*	0.451 (11)
H48F	0.633410	0.653867	0.479930	0.099*	0.451 (11)
C49"	0.5305 (18)	0.6469 (9)	0.5712 (7)	0.099 (4)	0.451 (11)
H49E	0.550308	0.711187	0.567382	0.118*	0.451 (11)
H49F	0.423476	0.659146	0.572870	0.118*	0.451 (11)
C50"	0.597 (2)	0.5734 (11)	0.6315 (6)	0.095 (4)	0.451 (11)
H50E	0.522847	0.561523	0.666105	0.114*	0.451 (11)
H50F	0.669752	0.594899	0.650040	0.114*	0.451 (11)
C51"	0.6703 (18)	0.4810 (9)	0.6049 (7)	0.093 (5)	0.451 (11)
H51E	0.758117	0.438046	0.630952	0.111*	0.451 (11)
H51F	0.602095	0.441338	0.607251	0.111*	0.451 (11)
O9	0.5561 (5)	0.8637 (3)	0.5708 (2)	0.1391 (17)
C52	0.6254 (6)	0.9318 (4)	0.5800 (3)	0.0980 (17)
H52A	0.660297	0.965313	0.536688	0.118*
H52B	0.710308	0.895984	0.609485	0.118*
C53	0.5171 (5)	1.0069 (4)	0.6105 (3)	0.1009 (17)
H53A	0.474171	1.069270	0.576463	0.121*
H53B	0.562821	1.023080	0.645154	0.121*
C54	0.4016 (6)	0.9565 (5)	0.6409 (3)	0.1106 (19)
H54A	0.413951	0.929899	0.689577	0.133*
H54B	0.302122	1.003604	0.631886	0.133*
C55	0.4285 (7)	0.8763 (6)	0.6076 (4)	0.147 (3)
H55A	0.432875	0.813131	0.641219	0.177*
H55B	0.345940	0.890959	0.577801	0.177*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.0248 (3)	0.0293 (3)	0.0317 (3)	−0.0105 (2)	0.0007 (2)	−0.0057 (2)
P1	0.0265 (4)	0.0348 (4)	0.0378 (5)	−0.0104 (3)	−0.0002 (3)	−0.0064 (4)
C1	0.0340 (17)	0.0301 (16)	0.0291 (17)	−0.0110 (13)	−0.0009 (13)	−0.0104 (13)
C2	0.0302 (17)	0.0317 (16)	0.0309 (17)	−0.0092 (13)	0.0038 (14)	−0.0030 (14)
C3	0.0255 (16)	0.0309 (16)	0.0364 (18)	−0.0115 (13)	−0.0037 (14)	0.0005 (14)
C4	0.0314 (17)	0.0330 (16)	0.0337 (18)	−0.0105 (13)	−0.0058 (14)	−0.0088 (14)
C5	0.043 (2)	0.0354 (17)	0.0341 (18)	−0.0083 (15)	0.0053 (15)	−0.0081 (14)
C6	0.039 (2)	0.0375 (18)	0.044 (2)	−0.0047 (15)	0.0150 (16)	−0.0047 (16)
C7	0.0276 (17)	0.0375 (18)	0.047 (2)	−0.0104 (14)	0.0024 (15)	0.0025 (16)
C8	0.0300 (17)	0.0322 (16)	0.0372 (18)	−0.0166 (13)	−0.0009 (14)	0.0011 (14)
C9	0.0310 (16)	0.0250 (14)	0.0256 (15)	−0.0126 (12)	−0.0009 (12)	−0.0048 (12)
C10	0.0387 (18)	0.0314 (16)	0.0265 (16)	−0.0118 (14)	−0.0036 (13)	−0.0095 (13)
C11	0.0274 (16)	0.0232 (14)	0.0216 (15)	−0.0102 (12)	−0.0011 (12)	−0.0007 (12)
C12	0.0308 (16)	0.0249 (14)	0.0230 (15)	−0.0117 (12)	−0.0020 (12)	−0.0012 (12)
C13	0.0324 (17)	0.0265 (15)	0.0263 (16)	−0.0090 (13)	0.0015 (13)	0.0001 (13)
C14	0.0299 (16)	0.0236 (14)	0.0277 (16)	−0.0122 (12)	0.0001 (13)	0.0027 (12)
C15	0.0371 (18)	0.0292 (16)	0.0332 (18)	−0.0120 (14)	0.0052 (14)	−0.0109 (14)
C16	0.0259 (17)	0.0312 (16)	0.0408 (19)	−0.0089 (13)	0.0060 (14)	−0.0043 (14)
C17	0.0326 (18)	0.0373 (17)	0.0379 (19)	−0.0201 (14)	−0.0024 (14)	−0.0028 (15)
C18	0.0388 (19)	0.0388 (18)	0.0371 (19)	−0.0185 (15)	0.0047 (15)	−0.0154 (15)
C19	0.053 (2)	0.0305 (19)	0.089 (3)	−0.0120 (17)	0.009 (2)	−0.011 (2)
C20	0.059 (3)	0.032 (2)	0.107 (4)	−0.0040 (19)	0.000 (3)	0.005 (2)
C21	0.060 (3)	0.046 (2)	0.083 (3)	−0.016 (2)	−0.014 (2)	0.019 (2)
C22	0.049 (2)	0.042 (2)	0.056 (2)	−0.0154 (17)	−0.0044 (18)	0.0077 (17)
C23	0.0397 (18)	0.0308 (16)	0.0358 (18)	−0.0138 (14)	0.0032 (14)	−0.0071 (14)
C24	0.0418 (19)	0.0335 (17)	0.052 (2)	−0.0161 (15)	0.0094 (16)	−0.0189 (16)
C25	0.0271 (16)	0.0320 (16)	0.0379 (18)	−0.0144 (13)	0.0060 (13)	−0.0086 (14)
C26	0.0322 (17)	0.0310 (16)	0.0414 (19)	−0.0179 (14)	0.0082 (14)	−0.0114 (14)
C27	0.0363 (18)	0.0285 (16)	0.063 (2)	−0.0146 (14)	0.0059 (17)	−0.0069 (16)
C28	0.0361 (18)	0.0310 (17)	0.049 (2)	−0.0149 (14)	0.0018 (15)	0.0004 (15)
C29	0.043 (2)	0.060 (2)	0.046 (2)	−0.0158 (17)	−0.0051 (16)	−0.0193 (18)
C30	0.0313 (18)	0.050 (2)	0.048 (2)	−0.0134 (15)	0.0051 (15)	−0.0160 (16)
C31	0.0331 (19)	0.047 (2)	0.071 (3)	−0.0115 (16)	−0.0080 (18)	0.0027 (18)
K1	0.0286 (5)	0.0259 (5)	0.0395 (6)	−0.0099 (4)	0.0013 (4)	−0.0033 (4)
O1	0.0376 (12)	0.0308 (11)	0.0460 (13)	−0.0168 (9)	0.0000 (10)	−0.0077 (10)
O2	0.0310 (12)	0.0277 (11)	0.0453 (13)	−0.0062 (9)	−0.0045 (10)	−0.0019 (9)
O3	0.0314 (12)	0.0376 (12)	0.0415 (13)	−0.0131 (9)	0.0061 (10)	−0.0102 (10)
C32	0.0411 (19)	0.0377 (18)	0.044 (2)	−0.0243 (15)	−0.0002 (15)	−0.0047 (15)
C33	0.052 (2)	0.0261 (16)	0.0405 (19)	−0.0169 (15)	0.0063 (16)	−0.0054 (14)
C34	0.048 (2)	0.0261 (16)	0.042 (2)	−0.0054 (14)	−0.0009 (16)	−0.0015 (14)
C35	0.0326 (18)	0.0376 (18)	0.057 (2)	−0.0006 (14)	−0.0075 (16)	−0.0166 (17)
C36	0.0270 (17)	0.051 (2)	0.053 (2)	−0.0114 (15)	0.0053 (15)	−0.0230 (17)
C37	0.0359 (18)	0.0461 (19)	0.0423 (19)	−0.0251 (15)	0.0045 (15)	−0.0044 (16)
O4	0.079 (3)	0.065 (3)	0.045 (2)	−0.035 (2)	−0.0175 (19)	0.0052 (17)
C38	0.081 (4)	0.071 (4)	0.054 (3)	−0.044 (3)	0.002 (3)	−0.014 (3)
C39	0.070 (4)	0.098 (5)	0.114 (6)	−0.026 (3)	−0.023 (4)	−0.034 (4)
C40	0.106 (5)	0.073 (4)	0.102 (5)	−0.034 (4)	−0.055 (4)	0.009 (4)
C41	0.062 (4)	0.068 (4)	0.051 (3)	−0.027 (4)	−0.004 (3)	−0.005 (3)
O4'	0.116 (13)	0.091 (13)	0.061 (8)	−0.069 (10)	−0.013 (9)	−0.009 (8)
C38'	0.079 (12)	0.063 (12)	0.078 (10)	−0.037 (9)	−0.006 (9)	−0.024 (9)
C39'	0.073 (13)	0.088 (13)	0.083 (10)	−0.035 (10)	−0.011 (9)	−0.034 (10)
C40'	0.085 (14)	0.072 (13)	0.060 (9)	−0.034 (11)	−0.024 (9)	0.000 (9)
C41'	0.082 (16)	0.071 (14)	0.062 (11)	−0.042 (13)	−0.004 (10)	−0.016 (9)
K2	0.0662 (7)	0.0347 (5)	0.0331 (6)	−0.0180 (5)	−0.0005 (5)	−0.0083 (4)
O5	0.0704 (16)	0.0351 (12)	0.0366 (13)	−0.0167 (12)	−0.0055 (12)	−0.0058 (10)
O6	0.0794 (18)	0.0453 (14)	0.0343 (13)	−0.0316 (13)	−0.0021 (12)	−0.0050 (11)
O7	0.0862 (19)	0.0438 (13)	0.0366 (13)	−0.0357 (13)	−0.0073 (13)	−0.0055 (11)
C42	0.062 (2)	0.0361 (19)	0.053 (2)	−0.0148 (17)	−0.0097 (19)	−0.0028 (17)
C43	0.071 (3)	0.0384 (19)	0.043 (2)	−0.0214 (18)	−0.0118 (18)	0.0050 (16)
C44	0.093 (3)	0.054 (2)	0.033 (2)	−0.032 (2)	−0.0108 (19)	−0.0042 (17)
C45	0.099 (3)	0.055 (2)	0.037 (2)	−0.036 (2)	−0.012 (2)	−0.0070 (18)
C46	0.107 (3)	0.051 (2)	0.047 (2)	−0.047 (2)	−0.009 (2)	−0.0090 (19)
C47	0.086 (3)	0.041 (2)	0.046 (2)	−0.030 (2)	0.006 (2)	−0.0151 (17)
O8	0.069 (6)	0.099 (10)	0.053 (6)	0.009 (5)	0.025 (5)	−0.002 (6)
C48	0.066 (7)	0.063 (9)	0.069 (8)	−0.020 (6)	0.011 (6)	−0.006 (6)
C49	0.055 (6)	0.070 (9)	0.089 (9)	−0.012 (6)	0.019 (5)	−0.015 (6)
C50	0.065 (7)	0.134 (12)	0.070 (8)	−0.031 (8)	0.015 (6)	0.012 (8)
C51	0.068 (6)	0.110 (11)	0.054 (6)	−0.027 (7)	0.004 (5)	−0.012 (7)
O8'	0.075 (8)	0.098 (10)	0.071 (9)	−0.006 (8)	−0.009 (7)	−0.027 (8)
C48'	0.068 (10)	0.078 (12)	0.068 (9)	−0.012 (9)	−0.011 (7)	−0.020 (9)
C49'	0.071 (9)	0.088 (12)	0.089 (10)	−0.008 (9)	−0.002 (8)	−0.012 (10)
C50'	0.072 (10)	0.119 (13)	0.079 (10)	−0.012 (11)	0.015 (9)	−0.016 (10)
C51'	0.076 (11)	0.117 (14)	0.067 (10)	−0.038 (12)	0.005 (9)	−0.038 (10)
O8"	0.089 (7)	0.086 (8)	0.072 (6)	0.019 (6)	0.006 (5)	−0.023 (5)
C48"	0.076 (7)	0.080 (10)	0.078 (6)	−0.014 (7)	−0.002 (6)	−0.005 (6)
C49"	0.086 (8)	0.075 (7)	0.114 (8)	−0.008 (6)	0.021 (7)	−0.014 (6)
C50"	0.086 (9)	0.135 (9)	0.070 (6)	−0.033 (8)	−0.003 (6)	−0.033 (6)
C51"	0.072 (8)	0.089 (8)	0.093 (8)	−0.014 (6)	0.006 (7)	0.004 (6)
O9	0.111 (3)	0.139 (4)	0.200 (5)	−0.078 (3)	0.062 (3)	−0.069 (3)
C52	0.083 (4)	0.108 (4)	0.108 (4)	−0.047 (3)	−0.003 (3)	−0.011 (3)
C53	0.068 (3)	0.089 (4)	0.131 (5)	−0.020 (3)	0.008 (3)	−0.009 (3)
C54	0.090 (4)	0.108 (4)	0.144 (5)	−0.050 (4)	0.011 (4)	−0.027 (4)
C55	0.135 (6)	0.168 (7)	0.174 (7)	−0.100 (5)	0.091 (5)	−0.066 (6)

Geometric parameters (Å, º)

V1—C16	2.208 (3)	C38—H38B	0.9900
V1—C17	2.222 (3)	C39—C40	1.488 (8)
V1—C3	2.243 (3)	C39—H39A	0.9900
V1—C2	2.245 (3)	C39—H39B	0.9900
V1—C1	2.279 (3)	C40—C41	1.501 (8)
V1—C15	2.304 (3)	C40—H40A	0.9900
V1—C4	2.307 (3)	C40—H40B	0.9900
V1—C18	2.340 (3)	C41—H41A	0.9900
V1—P1	2.5031 (10)	C41—H41B	0.9900
P1—C31	1.826 (3)	O4'—C41'	1.406 (15)
P1—C29	1.827 (3)	O4'—C38'	1.419 (15)
P1—C30	1.829 (3)	C38'—C39'	1.504 (16)
C1—C2	1.427 (4)	C38'—H38C	0.9900
C1—C11	1.451 (4)	C38'—H38D	0.9900
C1—H1	0.92 (3)	C39'—C40'	1.466 (17)
C2—C3	1.386 (4)	C39'—H39C	0.9900
C2—H2	0.95 (3)	C39'—H39D	0.9900
C3—C4	1.418 (4)	C40'—C41'	1.495 (16)
C3—H3	0.95 (3)	C40'—H40C	0.9900
C4—C12	1.444 (4)	C40'—H40D	0.9900
C4—H4	0.93 (3)	C41'—H41C	0.9900
C5—C6	1.379 (5)	C41'—H41D	0.9900
C5—C13	1.407 (4)	K2—O8^ii	2.706 (9)
C5—H5	0.9500	K2—O8	2.706 (9)
C6—C7	1.397 (5)	K2—O8'^ii	2.716 (15)
C6—H6	0.9500	K2—O8'	2.716 (15)
C7—C8	1.374 (4)	K2—O5^ii	2.759 (2)
C7—H7	0.9500	K2—O5	2.759 (2)
C8—C14	1.404 (4)	K2—O7	2.781 (2)
C8—H8	0.9500	K2—O7^ii	2.781 (2)
C9—C11	1.375 (4)	K2—O8"	2.789 (11)
C9—C14	1.425 (4)	K2—O8"^ii	2.789 (11)
C9—H9	0.9500	K2—O6	2.839 (2)
C10—C12	1.374 (4)	K2—O6^ii	2.839 (2)
C10—C13	1.417 (4)	K2—H48D^ii	2.86 (3)
C10—H10	0.9500	O5—C42	1.417 (4)
C11—C12	1.452 (4)	O5—C47^ii	1.421 (4)
C13—C14	1.438 (4)	O6—C43	1.425 (4)
C15—C16	1.425 (4)	O6—C44	1.426 (4)
C15—C25	1.455 (4)	O7—C45	1.418 (4)
C15—H15	0.91 (3)	O7—C46	1.421 (4)
C16—C17	1.379 (4)	C42—C43	1.491 (5)
C16—H16	0.96 (3)	C42—H42A	0.9900
C17—C18	1.430 (4)	C42—H42B	0.9900
C17—H17	0.95 (3)	C43—H43A	0.9900
C18—C26	1.458 (4)	C43—H43B	0.9900
C18—H18	0.93 (3)	C44—C45	1.501 (5)
C19—C20	1.375 (6)	C44—H44A	0.9900
C19—C27	1.417 (4)	C44—H44B	0.9900
C19—H19	0.9500	C45—H45A	0.9900
C20—C21	1.387 (6)	C45—H45B	0.9900
C20—H20	0.9500	C46—C47	1.489 (5)
C21—C22	1.374 (5)	C46—H46A	0.9900
C21—H21	0.9500	C46—H46B	0.9900
C22—C28	1.415 (5)	C47—H47A	0.9900
C22—H22	0.9500	C47—H47B	0.9900
C23—C25	1.379 (4)	O8—C48	1.393 (12)
C23—C28	1.420 (4)	O8—C51	1.412 (12)
C23—H23	0.9500	C48—C49	1.490 (15)
C24—C26	1.376 (4)	C48—H48A	0.9900
C24—C27	1.417 (5)	C48—H48B	0.9900
C24—H24	0.9500	C49—C50	1.494 (13)
C25—C26	1.450 (4)	C49—H49A	0.9900
C27—C28	1.423 (5)	C49—H49B	0.9900
C29—H29A	0.9800	C50—C51	1.491 (13)
C29—H29B	0.9800	C50—H50A	0.9900
C29—H29C	0.9800	C50—H50B	0.9900
C30—H30A	0.9800	C51—H51A	0.9900
C30—H30B	0.9800	C51—H51B	0.9900
C30—H30C	0.9800	O8'—C48'	1.379 (15)
C31—H31A	0.9800	O8'—C51'	1.385 (15)
C31—H31B	0.9800	C48'—C49'	1.493 (17)
C31—H31C	0.9800	C48'—H48C	0.9900
K1—O4'	2.699 (13)	C48'—H48D	0.9900
K1—O4'^i	2.699 (13)	C49'—C50'	1.496 (18)
K1—O4^i	2.714 (4)	C49'—H49C	0.9900
K1—O4	2.714 (4)	C49'—H49D	0.9900
K1—O2^i	2.7549 (19)	C50'—C51'	1.482 (17)
K1—O2	2.7549 (19)	C50'—H50C	0.9900
K1—O1	2.7793 (19)	C50'—H50D	0.9900
K1—O1^i	2.7793 (19)	C51'—H51C	0.9900
K1—O3^i	2.870 (2)	C51'—H51D	0.9900
K1—O3	2.870 (2)	O8"—C48"	1.399 (12)
O1—C33	1.419 (3)	O8"—C51"	1.425 (11)
O1—C32	1.422 (4)	C48"—C49"	1.488 (14)
O2—C35	1.423 (4)	C48"—H48E	0.9900
O2—C34	1.427 (3)	C48"—H48F	0.9900
O3—C36	1.422 (3)	C49"—C50"	1.468 (14)
O3—C37	1.429 (3)	C49"—H49E	0.9900
C32—C37^i	1.489 (4)	C49"—H49F	0.9900
C32—H32A	0.9900	C50"—C51"	1.523 (13)
C32—H32B	0.9900	C50"—H50E	0.9900
C33—C34	1.495 (4)	C50"—H50F	0.9900
C33—H33A	0.9900	C51"—H51E	0.9900
C33—H33B	0.9900	C51"—H51F	0.9900
C34—H34A	0.9900	O9—C55	1.375 (6)
C34—H34B	0.9900	O9—C52	1.410 (6)
C35—C36	1.488 (4)	C52—C53	1.484 (7)
C35—H35A	0.9900	C52—H52A	0.9900
C35—H35B	0.9900	C52—H52B	0.9900
C36—H36A	0.9900	C53—C54	1.519 (7)
C36—H36B	0.9900	C53—H53A	0.9900
C37—H37A	0.9900	C53—H53B	0.9900
C37—H37B	0.9900	C54—C55	1.446 (8)
O4—C41	1.406 (6)	C54—H54A	0.9900
O4—C38	1.419 (6)	C54—H54B	0.9900
C38—C39	1.516 (7)	C55—H55A	0.9900
C38—H38A	0.9900	C55—H55B	0.9900
C16—V1—C17	36.29 (11)	C40—C39—C38	104.3 (5)
C16—V1—C3	135.95 (11)	C40—C39—H39A	110.9
C17—V1—C3	144.25 (12)	C38—C39—H39A	110.9
C16—V1—C2	133.31 (11)	C40—C39—H39B	110.9
C17—V1—C2	115.31 (12)	C38—C39—H39B	110.9
C3—V1—C2	35.96 (11)	H39A—C39—H39B	108.9
C16—V1—C1	97.33 (11)	C39—C40—C41	105.3 (5)
C17—V1—C1	81.39 (11)	C39—C40—H40A	110.7
C3—V1—C1	64.02 (11)	C41—C40—H40A	110.7
C2—V1—C1	36.76 (10)	C39—C40—H40B	110.7
C16—V1—C15	36.75 (11)	C41—C40—H40B	110.7
C17—V1—C15	63.72 (12)	H40A—C40—H40B	108.8
C3—V1—C15	136.26 (11)	O4—C41—C40	106.9 (5)
C2—V1—C15	164.48 (11)	O4—C41—H41A	110.3
C1—V1—C15	133.43 (11)	C40—C41—H41A	110.3
C16—V1—C4	101.61 (11)	O4—C41—H41B	110.3
C17—V1—C4	126.44 (11)	C40—C41—H41B	110.3
C3—V1—C4	36.28 (10)	H41A—C41—H41B	108.6
C2—V1—C4	64.00 (11)	C41'—O4'—C38'	111.7 (14)
C1—V1—C4	72.57 (11)	C41'—O4'—K1	127.3 (15)
C15—V1—C4	103.37 (11)	C38'—O4'—K1	119.2 (13)
C16—V1—C18	63.78 (11)	O4'—C38'—C39'	104.8 (13)
C17—V1—C18	36.42 (11)	O4'—C38'—H38C	110.8
C3—V1—C18	152.93 (12)	C39'—C38'—H38C	110.8
C2—V1—C18	118.46 (12)	O4'—C38'—H38D	110.8
C1—V1—C18	99.36 (11)	C39'—C38'—H38D	110.8
C15—V1—C18	70.78 (11)	H38C—C38'—H38D	108.9
C4—V1—C18	162.86 (11)	C40'—C39'—C38'	107.7 (12)
C16—V1—P1	131.35 (9)	C40'—C39'—H39C	110.2
C17—V1—P1	134.53 (9)	C38'—C39'—H39C	110.2
C3—V1—P1	79.15 (8)	C40'—C39'—H39D	110.2
C2—V1—P1	95.19 (8)	C38'—C39'—H39D	110.2
C1—V1—P1	131.23 (8)	H39C—C39'—H39D	108.5
C15—V1—P1	95.24 (8)	C39'—C40'—C41'	105.8 (12)
C4—V1—P1	96.49 (8)	C39'—C40'—H40C	110.6
C18—V1—P1	100.06 (8)	C41'—C40'—H40C	110.6
C31—P1—C29	100.86 (17)	C39'—C40'—H40D	110.6
C31—P1—C30	98.78 (16)	C41'—C40'—H40D	110.6
C29—P1—C30	100.73 (16)	H40C—C40'—H40D	108.7
C31—P1—V1	122.03 (11)	O4'—C41'—C40'	107.5 (14)
C29—P1—V1	114.17 (11)	O4'—C41'—H41C	110.2
C30—P1—V1	116.86 (11)	C40'—C41'—H41C	110.2
C2—C1—C11	120.2 (3)	O4'—C41'—H41D	110.2
C2—C1—V1	70.33 (17)	C40'—C41'—H41D	110.2
C11—C1—V1	97.80 (18)	H41C—C41'—H41D	108.5
C2—C1—H1	117.8 (19)	O8^ii—K2—O8	180.0
C11—C1—H1	117.3 (19)	O8^ii—K2—O8'^ii	15.5 (6)
V1—C1—H1	122.5 (18)	O8—K2—O8'^ii	164.5 (6)
C3—C2—C1	116.9 (3)	O8'^ii—K2—O8'	180.0
C3—C2—V1	71.96 (17)	O8^ii—K2—O5^ii	95.5 (4)
C1—C2—V1	72.92 (17)	O8—K2—O5^ii	84.5 (4)
C3—C2—H2	121.9 (19)	O8^ii—K2—O5	84.5 (4)
C1—C2—H2	121.0 (19)	O8—K2—O5	95.5 (4)
V1—C2—H2	120.8 (18)	O8'^ii—K2—O5	95.4 (6)
C2—C3—C4	118.7 (3)	O8'—K2—O5	84.6 (6)
C2—C3—V1	72.08 (17)	O5^ii—K2—O5	180.00 (10)
C4—C3—V1	74.30 (17)	O8^ii—K2—O7	99.5 (4)
C2—C3—H3	120.8 (18)	O8—K2—O7	80.5 (4)
C4—C3—H3	120.4 (18)	O8'^ii—K2—O7	103.6 (6)
V1—C3—H3	125.7 (18)	O8'—K2—O7	76.4 (6)
C3—C4—C12	120.6 (3)	O5^ii—K2—O7	61.08 (6)
C3—C4—V1	69.42 (17)	O5—K2—O7	118.92 (6)
C12—C4—V1	97.10 (18)	O8^ii—K2—O7^ii	80.5 (4)
C3—C4—H4	118.5 (19)	O8—K2—O7^ii	99.5 (4)
C12—C4—H4	116.9 (19)	O5^ii—K2—O7^ii	118.92 (6)
V1—C4—H4	122.8 (18)	O5—K2—O7^ii	61.08 (6)
C6—C5—C13	121.9 (3)	O7—K2—O7^ii	180.0
C6—C5—H5	119.1	O5^ii—K2—O8"	94.6 (3)
C13—C5—H5	119.1	O5—K2—O8"	85.4 (3)
C5—C6—C7	119.7 (3)	O7—K2—O8"	92.0 (3)
C5—C6—H6	120.2	O7^ii—K2—O8"	88.0 (3)
C7—C6—H6	120.2	O8^ii—K2—O8"^ii	12.6 (6)
C8—C7—C6	120.0 (3)	O8—K2—O8"^ii	167.4 (6)
C8—C7—H7	120.0	O8'^ii—K2—O8"^ii	18.5 (6)
C6—C7—H7	120.0	O8'—K2—O8"^ii	161.5 (6)
C7—C8—C14	122.0 (3)	O5^ii—K2—O8"^ii	85.4 (3)
C7—C8—H8	119.0	O5—K2—O8"^ii	94.6 (3)
C14—C8—H8	119.0	O7—K2—O8"^ii	88.0 (3)
C11—C9—C14	122.5 (3)	O7^ii—K2—O8"^ii	92.0 (3)
C11—C9—H9	118.8	O8"—K2—O8"^ii	180.0
C14—C9—H9	118.8	O8^ii—K2—O6	82.4 (3)
C12—C10—C13	122.7 (3)	O8—K2—O6	97.6 (3)
C12—C10—H10	118.7	O8'^ii—K2—O6	97.4 (5)
C13—C10—H10	118.7	O8'—K2—O6	82.6 (5)
C9—C11—C1	124.8 (3)	O5^ii—K2—O6	120.17 (6)
C9—C11—C12	119.0 (2)	O5—K2—O6	59.83 (6)
C1—C11—C12	116.1 (2)	O7—K2—O6	60.45 (7)
C10—C12—C4	125.2 (3)	O7^ii—K2—O6	119.55 (7)
C10—C12—C11	119.2 (3)	O8"—K2—O6	98.9 (3)
C4—C12—C11	115.6 (2)	O8"^ii—K2—O6	81.1 (3)
C5—C13—C10	123.3 (3)	O8^ii—K2—O6^ii	97.6 (3)
C5—C13—C14	118.2 (3)	O8—K2—O6^ii	82.4 (3)
C10—C13—C14	118.4 (3)	O5^ii—K2—O6^ii	59.83 (6)
C8—C14—C9	123.5 (3)	O5—K2—O6^ii	120.17 (6)
C8—C14—C13	118.2 (3)	O7—K2—O6^ii	119.55 (7)
C9—C14—C13	118.3 (3)	O7^ii—K2—O6^ii	60.45 (7)
C16—C15—C25	118.5 (3)	O6—K2—O6^ii	180.0
C16—C15—V1	67.93 (17)	O8^ii—K2—H48D^ii	27.5 (7)
C25—C15—V1	105.21 (19)	O8—K2—H48D^ii	152.5 (7)
C16—C15—H15	115.7 (19)	O5^ii—K2—H48D^ii	99.4 (12)
C25—C15—H15	118.1 (19)	O5—K2—H48D^ii	80.6 (12)
V1—C15—H15	121.4 (19)	O7—K2—H48D^ii	77.8 (6)
C17—C16—C15	116.9 (3)	O7^ii—K2—H48D^ii	102.2 (6)
C17—C16—V1	72.41 (17)	O6—K2—H48D^ii	56.8 (9)
C15—C16—V1	75.32 (17)	O6^ii—K2—H48D^ii	123.2 (9)
C17—C16—H16	122.0 (18)	C42—O5—C47^ii	112.9 (3)
C15—C16—H16	120.9 (18)	C42—O5—K2	118.92 (18)
V1—C16—H16	117.3 (18)	C47^ii—O5—K2	114.31 (18)
C16—C17—C18	117.8 (3)	C43—O6—C44	112.4 (2)
C16—C17—V1	71.30 (17)	C43—O6—K2	111.23 (19)
C18—C17—V1	76.30 (18)	C44—O6—K2	114.09 (19)
C16—C17—H17	120.6 (19)	C45—O7—C46	112.1 (3)
C18—C17—H17	121.5 (18)	C45—O7—K2	113.33 (19)
V1—C17—H17	119.2 (19)	C46—O7—K2	114.01 (19)
C17—C18—C26	118.2 (3)	O5—C42—C43	108.3 (3)
C17—C18—V1	67.27 (17)	O5—C42—H42A	110.0
C26—C18—V1	104.1 (2)	C43—C42—H42A	110.0
C17—C18—H18	118 (2)	O5—C42—H42B	110.0
C26—C18—H18	115.9 (19)	C43—C42—H42B	110.0
V1—C18—H18	123.8 (19)	H42A—C42—H42B	108.4
C20—C19—C27	121.3 (4)	O6—C43—C42	108.8 (3)
C20—C19—H19	119.4	O6—C43—H43A	109.9
C27—C19—H19	119.4	C42—C43—H43A	109.9
C19—C20—C21	120.2 (4)	O6—C43—H43B	109.9
C19—C20—H20	119.9	C42—C43—H43B	109.9
C21—C20—H20	119.9	H43A—C43—H43B	108.3
C22—C21—C20	120.6 (4)	O6—C44—C45	108.0 (3)
C22—C21—H21	119.7	O6—C44—H44A	110.1
C20—C21—H21	119.7	C45—C44—H44A	110.1
C21—C22—C28	120.9 (4)	O6—C44—H44B	110.1
C21—C22—H22	119.5	C45—C44—H44B	110.1
C28—C22—H22	119.5	H44A—C44—H44B	108.4
C25—C23—C28	122.3 (3)	O7—C45—C44	108.6 (3)
C25—C23—H23	118.9	O7—C45—H45A	110.0
C28—C23—H23	118.9	C44—C45—H45A	110.0
C26—C24—C27	122.2 (3)	O7—C45—H45B	110.0
C26—C24—H24	118.9	C44—C45—H45B	110.0
C27—C24—H24	118.9	H45A—C45—H45B	108.3
C23—C25—C26	118.9 (3)	O7—C46—C47	109.7 (3)
C23—C25—C15	125.8 (3)	O7—C46—H46A	109.7
C26—C25—C15	115.3 (3)	C47—C46—H46A	109.7
C24—C26—C25	119.1 (3)	O7—C46—H46B	109.7
C24—C26—C18	125.7 (3)	C47—C46—H46B	109.7
C25—C26—C18	115.1 (3)	H46A—C46—H46B	108.2
C24—C27—C19	122.7 (3)	O5^ii—C47—C46	108.2 (3)
C24—C27—C28	119.0 (3)	O5^ii—C47—H47A	110.1
C19—C27—C28	118.3 (3)	C46—C47—H47A	110.1
C22—C28—C23	122.8 (3)	O5^ii—C47—H47B	110.1
C22—C28—C27	118.8 (3)	C46—C47—H47B	110.1
C23—C28—C27	118.4 (3)	H47A—C47—H47B	108.4
P1—C29—H29A	109.5	C48—O8—C51	110.1 (10)
P1—C29—H29B	109.5	C48—O8—K2	129.4 (10)
H29A—C29—H29B	109.5	C51—O8—K2	116.0 (9)
P1—C29—H29C	109.5	O8—C48—C49	104.7 (10)
H29A—C29—H29C	109.5	O8—C48—H48A	110.8
H29B—C29—H29C	109.5	C49—C48—H48A	110.8
P1—C30—H30A	109.5	O8—C48—H48B	110.8
P1—C30—H30B	109.5	C49—C48—H48B	110.8
H30A—C30—H30B	109.5	H48A—C48—H48B	108.9
P1—C30—H30C	109.5	C48—C49—C50	104.7 (9)
H30A—C30—H30C	109.5	C48—C49—H49A	110.8
H30B—C30—H30C	109.5	C50—C49—H49A	110.8
P1—C31—H31A	109.5	C48—C49—H49B	110.8
P1—C31—H31B	109.5	C50—C49—H49B	110.8
H31A—C31—H31B	109.5	H49A—C49—H49B	108.9
P1—C31—H31C	109.5	C51—C50—C49	106.5 (9)
H31A—C31—H31C	109.5	C51—C50—H50A	110.4
H31B—C31—H31C	109.5	C49—C50—H50A	110.4
O4^i—K1—O4	180.0	C51—C50—H50B	110.4
O4^i—K1—O2^i	83.97 (11)	C49—C50—H50B	110.4
O4—K1—O2^i	96.03 (11)	H50A—C50—H50B	108.6
O4'—K1—O2	101.7 (6)	O8—C51—C50	102.1 (10)
O4'^i—K1—O2	78.3 (6)	O8—C51—H51A	111.3
O4^i—K1—O2	96.03 (11)	C50—C51—H51A	111.3
O4—K1—O2	83.97 (11)	O8—C51—H51B	111.3
O2^i—K1—O2	180.00 (6)	C50—C51—H51B	111.3
O4'—K1—O1	103.6 (4)	H51A—C51—H51B	109.2
O4'^i—K1—O1	76.4 (4)	C48'—O8'—C51'	113.1 (18)
O4^i—K1—O1	80.16 (10)	C48'—O8'—K2	97.4 (18)
O4—K1—O1	99.84 (10)	C51'—O8'—K2	132 (2)
O2^i—K1—O1	119.02 (6)	O8'—C48'—C49'	106.2 (14)
O2—K1—O1	60.98 (6)	O8'—C48'—H48C	110.5
O4^i—K1—O1^i	99.85 (10)	C49'—C48'—H48C	110.5
O4—K1—O1^i	80.16 (10)	O8'—C48'—H48D	110.5
O2^i—K1—O1^i	60.98 (6)	C49'—C48'—H48D	110.5
O2—K1—O1^i	119.02 (6)	H48C—C48'—H48D	108.7
O1—K1—O1^i	180.00 (7)	C48'—C49'—C50'	106.5 (13)
O4^i—K1—O3^i	84.95 (10)	C48'—C49'—H49C	110.4
O4—K1—O3^i	95.05 (10)	C50'—C49'—H49C	110.4
O2^i—K1—O3^i	60.79 (6)	C48'—C49'—H49D	110.4
O2—K1—O3^i	119.21 (6)	C50'—C49'—H49D	110.4
O1—K1—O3^i	59.42 (6)	H49C—C49'—H49D	108.6
O1^i—K1—O3^i	120.58 (6)	C51'—C50'—C49'	104.6 (13)
O4'—K1—O3	98.4 (5)	C51'—C50'—H50C	110.8
O4'^i—K1—O3	81.6 (5)	C49'—C50'—H50C	110.8
O4^i—K1—O3	95.05 (10)	C51'—C50'—H50D	110.8
O4—K1—O3	84.95 (10)	C49'—C50'—H50D	110.8
O2^i—K1—O3	119.21 (6)	H50C—C50'—H50D	108.9
O2—K1—O3	60.79 (6)	O8'—C51'—C50'	107.0 (15)
O1—K1—O3	120.58 (6)	O8'—C51'—H51C	110.3
O1^i—K1—O3	59.42 (6)	C50'—C51'—H51C	110.3
O3^i—K1—O3	180.0	O8'—C51'—H51D	110.3
C33—O1—C32	112.7 (2)	C50'—C51'—H51D	110.3
C33—O1—K1	114.19 (16)	H51C—C51'—H51D	108.6
C32—O1—K1	117.82 (16)	C48"—O8"—C51"	105.3 (10)
C35—O2—C34	113.6 (2)	C48"—O8"—K2	122.4 (12)
C35—O2—K1	116.18 (16)	C51"—O8"—K2	120.9 (10)
C34—O2—K1	114.74 (17)	O8"—C48"—C49"	107.3 (11)
C36—O3—C37	112.4 (2)	O8"—C48"—H48E	110.3
C36—O3—K1	109.56 (16)	C49"—C48"—H48E	110.3
C37—O3—K1	112.59 (16)	O8"—C48"—H48F	110.3
O1—C32—C37^i	108.1 (2)	C49"—C48"—H48F	110.3
O1—C32—H32A	110.1	H48E—C48"—H48F	108.5
C37^i—C32—H32A	110.1	C50"—C49"—C48"	107.4 (9)
O1—C32—H32B	110.1	C50"—C49"—H49E	110.2
C37^i—C32—H32B	110.1	C48"—C49"—H49E	110.2
H32A—C32—H32B	108.4	C50"—C49"—H49F	110.2
O1—C33—C34	108.9 (2)	C48"—C49"—H49F	110.2
O1—C33—H33A	109.9	H49E—C49"—H49F	108.5
C34—C33—H33A	109.9	C49"—C50"—C51"	101.5 (9)
O1—C33—H33B	109.9	C49"—C50"—H50E	111.5
C34—C33—H33B	109.9	C51"—C50"—H50E	111.5
H33A—C33—H33B	108.3	C49"—C50"—H50F	111.5
O2—C34—C33	108.1 (2)	C51"—C50"—H50F	111.5
O2—C34—H34A	110.1	H50E—C50"—H50F	109.3
C33—C34—H34A	110.1	O8"—C51"—C50"	105.7 (10)
O2—C34—H34B	110.1	O8"—C51"—H51E	110.6
C33—C34—H34B	110.1	C50"—C51"—H51E	110.6
H34A—C34—H34B	108.4	O8"—C51"—H51F	110.6
O2—C35—C36	108.7 (3)	C50"—C51"—H51F	110.6
O2—C35—H35A	110.0	H51E—C51"—H51F	108.7
C36—C35—H35A	110.0	C55—O9—C52	108.2 (5)
O2—C35—H35B	110.0	O9—C52—C53	107.8 (4)
C36—C35—H35B	110.0	O9—C52—H52A	110.1
H35A—C35—H35B	108.3	C53—C52—H52A	110.1
O3—C36—C35	109.0 (3)	O9—C52—H52B	110.1
O3—C36—H36A	109.9	C53—C52—H52B	110.1
C35—C36—H36A	109.9	H52A—C52—H52B	108.5
O3—C36—H36B	109.9	C52—C53—C54	104.4 (5)
C35—C36—H36B	109.9	C52—C53—H53A	110.9
H36A—C36—H36B	108.3	C54—C53—H53A	110.9
O3—C37—C32^i	108.6 (2)	C52—C53—H53B	110.9
O3—C37—H37A	110.0	C54—C53—H53B	110.9
C32^i—C37—H37A	110.0	H53A—C53—H53B	108.9
O3—C37—H37B	110.0	C55—C54—C53	103.0 (5)
C32^i—C37—H37B	110.0	C55—C54—H54A	111.2
H37A—C37—H37B	108.3	C53—C54—H54A	111.2
C41—O4—C38	107.0 (4)	C55—C54—H54B	111.2
C41—O4—K1	130.6 (4)	C53—C54—H54B	111.2
C38—O4—K1	113.4 (3)	H54A—C54—H54B	109.1
O4—C38—C39	104.4 (4)	O9—C55—C54	112.7 (5)
O4—C38—H38A	110.9	O9—C55—H55A	109.1
C39—C38—H38A	110.9	C54—C55—H55A	109.1
O4—C38—H38B	110.9	O9—C55—H55B	109.1
C39—C38—H38B	110.9	C54—C55—H55B	109.1
H38A—C38—H38B	108.9	H55A—C55—H55B	107.8
C11—C1—C2—C3	−28.9 (4)	C25—C23—C28—C22	−176.1 (3)
V1—C1—C2—C3	58.7 (2)	C25—C23—C28—C27	3.1 (4)
C11—C1—C2—V1	−87.6 (3)	C24—C27—C28—C22	180.0 (3)
C1—C2—C3—C4	0.7 (4)	C19—C27—C28—C22	0.7 (4)
V1—C2—C3—C4	59.9 (2)	C24—C27—C28—C23	0.7 (4)
C1—C2—C3—V1	−59.2 (2)	C19—C27—C28—C23	−178.5 (3)
C2—C3—C4—C12	27.3 (4)	C33—O1—C32—C37^i	176.5 (2)
V1—C3—C4—C12	86.1 (3)	K1—O1—C32—C37^i	−47.2 (3)
C2—C3—C4—V1	−58.8 (2)	C32—O1—C33—C34	−173.6 (2)
C13—C5—C6—C7	−0.6 (5)	K1—O1—C33—C34	48.4 (3)
C5—C6—C7—C8	0.8 (4)	C35—O2—C34—C33	−173.2 (2)
C6—C7—C8—C14	−0.8 (4)	K1—O2—C34—C33	49.9 (3)
C14—C9—C11—C1	−176.6 (2)	O1—C33—C34—O2	−65.5 (3)
C14—C9—C11—C12	−0.9 (4)	C34—O2—C35—C36	177.3 (3)
C2—C1—C11—C9	−155.3 (3)	K1—O2—C35—C36	−46.4 (3)
V1—C1—C11—C9	133.0 (2)	C37—O3—C36—C35	179.7 (3)
C2—C1—C11—C12	28.9 (4)	K1—O3—C36—C35	−54.3 (3)
V1—C1—C11—C12	−42.8 (2)	O2—C35—C36—O3	68.9 (3)
C13—C10—C12—C4	177.2 (3)	C36—O3—C37—C32^i	176.1 (3)
C13—C10—C12—C11	−0.3 (4)	K1—O3—C37—C32^i	51.8 (3)
C3—C4—C12—C10	156.1 (3)	C41—O4—C38—C39	−36.0 (7)
V1—C4—C12—C10	−133.7 (3)	K1—O4—C38—C39	114.9 (5)
C3—C4—C12—C11	−26.3 (4)	O4—C38—C39—C40	27.4 (8)
V1—C4—C12—C11	44.0 (2)	C38—C39—C40—C41	−9.6 (8)
C9—C11—C12—C10	0.4 (4)	C38—O4—C41—C40	30.1 (8)
C1—C11—C12—C10	176.4 (2)	K1—O4—C41—C40	−113.8 (7)
C9—C11—C12—C4	−177.4 (2)	C39—C40—C41—O4	−11.7 (9)
C1—C11—C12—C4	−1.3 (3)	C41'—O4'—C38'—C39'	16 (4)
C6—C5—C13—C10	−177.0 (3)	K1—O4'—C38'—C39'	−150 (2)
C6—C5—C13—C14	0.4 (4)	O4'—C38'—C39'—C40'	−15 (4)
C12—C10—C13—C5	178.1 (3)	C38'—C39'—C40'—C41'	9 (4)
C12—C10—C13—C14	0.7 (4)	C38'—O4'—C41'—C40'	−11 (5)
C7—C8—C14—C9	178.8 (3)	K1—O4'—C41'—C40'	154 (3)
C7—C8—C14—C13	0.5 (4)	C39'—C40'—C41'—O4'	1 (4)
C11—C9—C14—C8	−177.0 (3)	C47^ii—O5—C42—C43	178.7 (3)
C11—C9—C14—C13	1.4 (4)	K2—O5—C42—C43	40.6 (3)
C5—C13—C14—C8	−0.3 (4)	C44—O6—C43—C42	−174.9 (3)
C10—C13—C14—C8	177.2 (2)	K2—O6—C43—C42	55.8 (3)
C5—C13—C14—C9	−178.7 (2)	O5—C42—C43—O6	−64.2 (4)
C10—C13—C14—C9	−1.2 (4)	C43—O6—C44—C45	−173.4 (3)
C25—C15—C16—C17	34.7 (4)	K2—O6—C44—C45	−45.6 (4)
V1—C15—C16—C17	−61.1 (2)	C46—O7—C45—C44	174.0 (3)
C25—C15—C16—V1	95.8 (3)	K2—O7—C45—C44	−55.2 (3)
C15—C16—C17—C18	0.1 (4)	O6—C44—C45—O7	67.8 (4)
V1—C16—C17—C18	−62.6 (2)	C45—O7—C46—C47	177.1 (3)
C15—C16—C17—V1	62.7 (2)	K2—O7—C46—C47	46.7 (4)
C16—C17—C18—C26	−34.3 (4)	O7—C46—C47—O5^ii	−65.4 (4)
V1—C17—C18—C26	−94.3 (3)	C51—O8—C48—C49	−33 (2)
C16—C17—C18—V1	59.9 (2)	K2—O8—C48—C49	172.1 (16)
C27—C19—C20—C21	−0.4 (6)	O8—C48—C49—C50	16 (2)
C19—C20—C21—C22	0.8 (6)	C48—C49—C50—C51	5 (2)
C20—C21—C22—C28	−0.4 (6)	C48—O8—C51—C50	35 (2)
C28—C23—C25—C26	−4.3 (4)	K2—O8—C51—C50	−166.0 (18)
C28—C23—C25—C15	173.7 (3)	C49—C50—C51—O8	−23 (2)
C16—C15—C25—C23	147.3 (3)	C51'—O8'—C48'—C49'	−10 (6)
V1—C15—C25—C23	−139.9 (3)	K2—O8'—C48'—C49'	−152 (4)
C16—C15—C25—C26	−34.6 (4)	O8'—C48'—C49'—C50'	0 (6)
V1—C15—C25—C26	38.2 (3)	C48'—C49'—C50'—C51'	9 (6)
C27—C24—C26—C25	2.1 (4)	C48'—O8'—C51'—C50'	16 (5)
C27—C24—C26—C18	−174.9 (3)	K2—O8'—C51'—C50'	141 (3)
C23—C25—C26—C24	1.7 (4)	C49'—C50'—C51'—O8'	−15 (5)
C15—C25—C26—C24	−176.5 (3)	C51"—O8"—C48"—C49"	28 (2)
C23—C25—C26—C18	179.0 (3)	K2—O8"—C48"—C49"	−115.8 (17)
C15—C25—C26—C18	0.8 (4)	O8"—C48"—C49"—C50"	−8 (2)
C17—C18—C26—C24	−149.8 (3)	C48"—C49"—C50"—C51"	−14 (2)
V1—C18—C26—C24	138.7 (3)	C48"—O8"—C51"—C50"	−37 (2)
C17—C18—C26—C25	33.0 (4)	K2—O8"—C51"—C50"	107.3 (15)
V1—C18—C26—C25	−38.4 (3)	C49"—C50"—C51"—O8"	30.8 (19)
C26—C24—C27—C19	175.9 (3)	C55—O9—C52—C53	−14.6 (7)
C26—C24—C27—C28	−3.3 (5)	O9—C52—C53—C54	20.1 (6)
C20—C19—C27—C24	−179.6 (3)	C52—C53—C54—C55	−17.6 (7)
C20—C19—C27—C28	−0.3 (5)	C52—O9—C55—C54	2.7 (9)
C21—C22—C28—C23	178.9 (3)	C53—C54—C55—O9	9.8 (8)
C21—C22—C28—C27	−0.3 (5)

Symmetry codes: (i) −x+1, −y, −z+2; (ii) −x+2, −y+1, −z+1.

Tetrakis(1,2-dimethoxyethane)potassium bis(η⁴-anthracene)[1,2-bis(dimethylphosphanyl)ethane]vanadium (7b)

Crystal data

[K(C4H10O2)4][V(C14H10)2(C6H16P2)]	Z = 2
Mr = 957.08	F(000) = 1024
Triclinic, P1	Dx = 1.241 Mg m^−3
a = 12.4421 (7) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.9771 (8) Å	Cell parameters from 3223 reflections
c = 15.1934 (9) Å	θ = 2.6–26.3°
α = 97.350 (1)°	µ = 0.39 mm^−1
β = 93.436 (1)°	T = 173 K
γ = 101.178 (1)°	Plate, green
V = 2561.0 (3) Å^3	0.50 × 0.30 × 0.10 mm

Data collection

Siemens SMART CCD platform diffractometer	8129 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.029
ω scans	θmax = 26.4°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −15→15
Tmin = 0.830, Tmax = 0.962	k = −17→17
28378 measured reflections	l = −18→18
10457 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.034	Hydrogen site location: mixed
wR(F^2) = 0.093	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0417P)^2 + 0.8265P] where P = (Fo^2 + 2Fc^2)/3
10457 reflections	(Δ/σ)max = 0.001
821 parameters	Δρmax = 0.36 e Å^−3
644 restraints	Δρmin = −0.26 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. The positional parameters of the hydrogen atoms on the metal-coordinating carbon atoms were refined to best describe their true positions.

Pairs of DME ligands on the cation were modeled as disordered over two positions: C35-O1-C36-C37-O2-C38 and C43-O5-C44-C45-O6-C46, 0.744 (5):0.256 (5), C39-O3-C40-C41-O4-C42 and C47-O7-C48-C49-O8-C50, 0.635 (3):0.365 (3).

Analogous bond lengths and angles among the disordered DME ligands were restrained to be similar. Anisotropic displacement parameters for proximal atoms were restrained to be similar and restrained toward the expected motion relative to bond direction.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
V1	0.06146 (2)	0.21760 (2)	0.23164 (2)	0.02722 (8)
K1	0.46861 (3)	0.79672 (3)	0.20340 (3)	0.03572 (10)
P1	−0.02590 (4)	0.15573 (4)	0.35565 (3)	0.03570 (12)
P2	0.12894 (4)	0.35153 (3)	0.35090 (3)	0.03387 (11)
C1	0.00094 (15)	0.33835 (13)	0.16375 (11)	0.0326 (4)
H1	0.0255 (15)	0.4042 (15)	0.1868 (13)	0.039*
C2	−0.08314 (15)	0.28078 (13)	0.20589 (12)	0.0339 (4)
H2	−0.1204 (16)	0.3105 (14)	0.2528 (13)	0.041*
C3	−0.11181 (15)	0.18010 (14)	0.17233 (12)	0.0344 (4)
H3	−0.1656 (16)	0.1378 (14)	0.1959 (13)	0.041*
C4	−0.05677 (15)	0.14718 (13)	0.09964 (11)	0.0327 (4)
H4	−0.0656 (15)	0.0786 (15)	0.0826 (12)	0.039*
C5	0.04827 (16)	0.21634 (17)	−0.20169 (12)	0.0446 (5)
H5	0.033119	0.148006	−0.224015	0.054*
C6	0.08338 (17)	0.28371 (19)	−0.25811 (14)	0.0531 (6)
H6	0.091370	0.261729	−0.318715	0.064*
C7	0.10704 (17)	0.38396 (19)	−0.22592 (14)	0.0525 (6)
H7	0.130943	0.430296	−0.264862	0.063*
C8	0.09615 (15)	0.41647 (16)	−0.13844 (14)	0.0440 (5)
H8	0.113379	0.485135	−0.117451	0.053*
C9	0.04696 (14)	0.38030 (13)	0.01208 (12)	0.0336 (4)
H9	0.064382	0.448667	0.034329	0.040*
C10	−0.00513 (14)	0.17942 (13)	−0.05244 (11)	0.0342 (4)
H10	−0.022541	0.110859	−0.073866	0.041*
C11	0.01029 (13)	0.31435 (12)	0.06883 (11)	0.0299 (4)
C12	−0.01882 (13)	0.21086 (12)	0.03491 (11)	0.0297 (4)
C13	0.03435 (14)	0.24661 (14)	−0.11165 (11)	0.0347 (4)
C14	0.05966 (14)	0.34938 (14)	−0.07895 (12)	0.0347 (4)
C15	0.19018 (14)	0.14433 (13)	0.29735 (12)	0.0316 (4)
H15	0.1786 (15)	0.1142 (14)	0.3478 (13)	0.038*
C16	0.13836 (15)	0.09077 (13)	0.21315 (12)	0.0328 (4)
H16	0.0990 (16)	0.0256 (15)	0.2073 (13)	0.039*
C17	0.15892 (15)	0.14169 (13)	0.14043 (12)	0.0337 (4)
H17	0.1310 (16)	0.1146 (14)	0.0809 (14)	0.040*
C18	0.22395 (15)	0.23891 (13)	0.15800 (11)	0.0326 (4)
H18	0.2270 (15)	0.2763 (14)	0.1104 (13)	0.039*
C19	0.61191 (15)	0.38668 (13)	0.28334 (13)	0.0401 (4)
H19	0.626944	0.418608	0.232556	0.048*
C20	0.69306 (16)	0.39876 (14)	0.35145 (14)	0.0440 (5)
H20	0.762971	0.439078	0.347525	0.053*
C21	0.67329 (16)	0.35205 (15)	0.42648 (13)	0.0440 (5)
H21	0.729301	0.361144	0.473874	0.053*
C22	0.57294 (16)	0.29312 (15)	0.43151 (13)	0.0418 (4)
H22	0.560411	0.261085	0.482548	0.050*
C23	0.38342 (14)	0.21556 (13)	0.36483 (11)	0.0343 (4)
H23	0.371007	0.180314	0.413972	0.041*
C24	0.41975 (15)	0.31444 (12)	0.21805 (12)	0.0334 (4)
H24	0.432148	0.346682	0.167111	0.040*
C25	0.30069 (14)	0.20396 (12)	0.29843 (11)	0.0297 (4)
C26	0.31890 (14)	0.25626 (12)	0.22332 (11)	0.0298 (4)
C27	0.50657 (14)	0.32796 (12)	0.28680 (12)	0.0329 (4)
C28	0.48755 (15)	0.27878 (13)	0.36263 (11)	0.0335 (4)
C29	−0.16977 (18)	0.16037 (18)	0.37401 (15)	0.0558 (6)
H29A	−0.185252	0.143403	0.433226	0.084*
H29B	−0.218808	0.113209	0.328573	0.084*
H29C	−0.181882	0.226957	0.370006	0.084*
C30	−0.03589 (17)	0.02695 (15)	0.37493 (14)	0.0461 (5)
H30A	−0.063794	0.018859	0.433060	0.069*
H30B	0.037040	0.010305	0.373932	0.069*
H30C	−0.086239	−0.016821	0.328052	0.069*
C31	0.0406 (2)	0.22322 (17)	0.46620 (13)	0.0592 (6)
H31A	−0.013854	0.254400	0.497905	0.071*
H31B	0.062948	0.175356	0.502631	0.071*
C32	0.14081 (18)	0.30210 (15)	0.45722 (12)	0.0455 (5)
H32A	0.207628	0.273645	0.460465	0.055*
H32B	0.148611	0.356404	0.507339	0.055*
C33	0.03947 (17)	0.43937 (14)	0.38107 (13)	0.0434 (5)
H33A	0.074267	0.486276	0.433194	0.065*
H33B	−0.031712	0.403364	0.395105	0.065*
H33C	0.028338	0.475119	0.330951	0.065*
C34	0.26084 (17)	0.43904 (14)	0.35982 (14)	0.0476 (5)
H34A	0.268505	0.484713	0.415476	0.071*
H34B	0.263513	0.476171	0.309201	0.071*
H34C	0.321026	0.403006	0.359542	0.071*
C35	0.5179 (5)	0.5464 (3)	0.1194 (3)	0.0858 (15)	0.744 (5)
H35A	0.440814	0.530642	0.132616	0.129*	0.744 (5)
H35B	0.565685	0.543059	0.172108	0.129*	0.744 (5)
H35C	0.530351	0.498967	0.069712	0.129*	0.744 (5)
O1	0.5420 (5)	0.6425 (3)	0.0961 (5)	0.0513 (14)	0.744 (5)
C36	0.6532 (4)	0.6687 (3)	0.0768 (4)	0.0616 (13)	0.744 (5)
H36A	0.665093	0.626134	0.022423	0.074*	0.744 (5)
H36B	0.702050	0.657493	0.126613	0.074*	0.744 (5)
C37	0.6817 (3)	0.7737 (3)	0.0629 (2)	0.0506 (9)	0.744 (5)
H37A	0.757389	0.788990	0.044396	0.061*	0.744 (5)
H37B	0.630567	0.786312	0.015326	0.061*	0.744 (5)
O2	0.67425 (19)	0.83395 (17)	0.14318 (16)	0.0438 (6)	0.744 (5)
C38	0.7198 (7)	0.9339 (6)	0.1419 (8)	0.070 (3)	0.744 (5)
H38A	0.711179	0.972251	0.198758	0.105*	0.744 (5)
H38B	0.681953	0.957618	0.093252	0.105*	0.744 (5)
H38C	0.798191	0.941468	0.132822	0.105*	0.744 (5)
C35'	0.5931 (11)	0.5694 (8)	0.1349 (7)	0.061 (3)	0.256 (5)
H35D	0.532961	0.539892	0.167914	0.092*	0.256 (5)
H35E	0.661539	0.587164	0.174052	0.092*	0.256 (5)
H35F	0.601701	0.521977	0.083762	0.092*	0.256 (5)
O1'	0.5686 (13)	0.6553 (9)	0.1043 (11)	0.041 (3)	0.256 (5)
C36'	0.6513 (14)	0.6970 (10)	0.0532 (12)	0.066 (4)	0.256 (5)
H36C	0.652016	0.651393	−0.002197	0.079*	0.256 (5)
H36D	0.723995	0.707557	0.087190	0.079*	0.256 (5)
C37'	0.6311 (12)	0.7911 (7)	0.0308 (7)	0.064 (3)	0.256 (5)
H37C	0.685703	0.816676	−0.009677	0.076*	0.256 (5)
H37D	0.557089	0.780331	−0.001219	0.076*	0.256 (5)
O2'	0.6375 (6)	0.8614 (5)	0.1063 (6)	0.051 (2)	0.256 (5)
C38'	0.7407 (16)	0.9245 (17)	0.130 (2)	0.058 (6)	0.256 (5)
H38D	0.738115	0.967934	0.185026	0.088*	0.256 (5)
H38E	0.759102	0.964293	0.081868	0.088*	0.256 (5)
H38F	0.796729	0.885156	0.137891	0.088*	0.256 (5)
C39	0.5834 (5)	0.6439 (3)	0.3592 (4)	0.0760 (14)	0.635 (3)
H39A	0.513094	0.597412	0.343065	0.114*	0.635 (3)
H39B	0.612193	0.637230	0.419028	0.114*	0.635 (3)
H39C	0.635962	0.629815	0.316279	0.114*	0.635 (3)
O3	0.5673 (3)	0.7410 (2)	0.3579 (2)	0.0519 (8)	0.635 (3)
C40	0.6655 (3)	0.8127 (4)	0.3804 (3)	0.0488 (10)	0.635 (3)
H40A	0.708445	0.817517	0.327762	0.059*	0.635 (3)
H40B	0.710869	0.793402	0.428245	0.059*	0.635 (3)
C41	0.6373 (5)	0.9093 (5)	0.4110 (4)	0.0489 (11)	0.635 (3)
H41A	0.585717	0.901870	0.457933	0.059*	0.635 (3)
H41B	0.704749	0.957077	0.436784	0.059*	0.635 (3)
O4	0.5888 (2)	0.94514 (18)	0.33961 (15)	0.0429 (6)	0.635 (3)
C42	0.5415 (3)	1.0266 (3)	0.3689 (3)	0.0592 (10)	0.635 (3)
H42A	0.510483	1.050640	0.317173	0.089*	0.635 (3)
H42B	0.598230	1.079313	0.402502	0.089*	0.635 (3)
H42C	0.483145	1.006300	0.407187	0.089*	0.635 (3)
C39'	0.5007 (6)	0.6010 (4)	0.3541 (5)	0.0530 (16)	0.365 (3)
H39D	0.433589	0.571367	0.315415	0.080*	0.365 (3)
H39E	0.482308	0.613288	0.415830	0.080*	0.365 (3)
H39F	0.552176	0.555987	0.350197	0.080*	0.365 (3)
O3'	0.5504 (4)	0.6917 (4)	0.3265 (4)	0.0479 (13)	0.365 (3)
C40'	0.6482 (6)	0.7347 (6)	0.3785 (4)	0.0554 (16)	0.365 (3)
H40C	0.698474	0.687713	0.376752	0.066*	0.365 (3)
H40D	0.632730	0.751407	0.441166	0.066*	0.365 (3)
C41'	0.6999 (6)	0.8241 (6)	0.3440 (5)	0.0566 (19)	0.365 (3)
H41C	0.767603	0.855412	0.382850	0.068*	0.365 (3)
H41D	0.722186	0.804901	0.283893	0.068*	0.365 (3)
O4'	0.6315 (4)	0.8964 (4)	0.3383 (3)	0.0546 (12)	0.365 (3)
C42'	0.6055 (13)	0.9356 (11)	0.4216 (8)	0.087 (4)	0.365 (3)
H42D	0.572351	0.992832	0.415616	0.130*	0.365 (3)
H42E	0.672667	0.956002	0.462238	0.130*	0.365 (3)
H42F	0.553372	0.885564	0.445574	0.130*	0.365 (3)
C43	0.2278 (4)	0.5968 (4)	0.1347 (3)	0.0958 (16)	0.744 (5)
H43A	0.281466	0.588615	0.091139	0.144*	0.744 (5)
H43B	0.169741	0.625714	0.108714	0.144*	0.744 (5)
H43C	0.195308	0.532420	0.150836	0.144*	0.744 (5)
O5	0.2812 (3)	0.6601 (3)	0.2122 (2)	0.0570 (9)	0.744 (5)
C44	0.2040 (3)	0.6826 (4)	0.2720 (4)	0.0602 (13)	0.744 (5)
H44A	0.162277	0.621370	0.289856	0.072*	0.744 (5)
H44B	0.151325	0.716288	0.243198	0.072*	0.744 (5)
C45	0.2657 (4)	0.7483 (3)	0.3517 (3)	0.0632 (11)	0.744 (5)
H45A	0.214003	0.758190	0.397495	0.076*	0.744 (5)
H45B	0.321548	0.715313	0.377109	0.076*	0.744 (5)
O6	0.3187 (2)	0.8412 (2)	0.3321 (2)	0.0553 (7)	0.744 (5)
C46	0.2475 (6)	0.9092 (5)	0.3308 (5)	0.0766 (18)	0.744 (5)
H46A	0.288819	0.972565	0.318419	0.115*	0.744 (5)
H46B	0.217517	0.918386	0.388710	0.115*	0.744 (5)
H46C	0.187156	0.883664	0.284164	0.115*	0.744 (5)
C43'	0.2845 (11)	0.5417 (10)	0.1312 (9)	0.089 (4)	0.256 (5)
H43D	0.355499	0.527687	0.114882	0.133*	0.256 (5)
H43E	0.244429	0.556997	0.079005	0.133*	0.256 (5)
H43F	0.241353	0.483989	0.152234	0.133*	0.256 (5)
O5'	0.3027 (8)	0.6251 (7)	0.2012 (8)	0.062 (3)	0.256 (5)
C44'	0.1994 (10)	0.6433 (10)	0.2266 (9)	0.062 (3)	0.256 (5)
H44C	0.151738	0.581621	0.238337	0.075*	0.256 (5)
H44D	0.161633	0.669430	0.178619	0.075*	0.256 (5)
C45'	0.2231 (13)	0.7193 (9)	0.3116 (9)	0.068 (4)	0.256 (5)
H45C	0.153940	0.725323	0.338802	0.082*	0.256 (5)
H45D	0.273021	0.699030	0.355650	0.082*	0.256 (5)
O6'	0.2733 (7)	0.8103 (6)	0.2857 (6)	0.060 (2)	0.256 (5)
C46'	0.277 (2)	0.8925 (14)	0.3508 (13)	0.091 (6)	0.256 (5)
H46D	0.315855	0.952040	0.329668	0.136*	0.256 (5)
H46E	0.315671	0.883171	0.406112	0.136*	0.256 (5)
H46F	0.201843	0.899464	0.361790	0.136*	0.256 (5)
C47	0.3673 (5)	0.7200 (4)	−0.0484 (3)	0.0735 (14)	0.635 (3)
H47A	0.411532	0.670629	−0.039393	0.110*	0.635 (3)
H47B	0.396683	0.758009	−0.094625	0.110*	0.635 (3)
H47C	0.290928	0.687007	−0.066884	0.110*	0.635 (3)
O7	0.3713 (6)	0.7833 (4)	0.0311 (3)	0.0771 (16)	0.635 (3)
C48	0.3132 (5)	0.8600 (5)	0.0201 (4)	0.0769 (16)	0.635 (3)
H48A	0.353875	0.905719	−0.016847	0.092*	0.635 (3)
H48B	0.239909	0.831188	−0.011517	0.092*	0.635 (3)
C49	0.3001 (4)	0.9131 (5)	0.1032 (4)	0.0761 (16)	0.635 (3)
H49A	0.257712	0.867218	0.139062	0.091*	0.635 (3)
H49B	0.256427	0.963409	0.092649	0.091*	0.635 (3)
O8	0.4013 (4)	0.9609 (3)	0.1531 (3)	0.0752 (11)	0.635 (3)
C50	0.4433 (6)	1.0533 (4)	0.1293 (4)	0.101 (2)	0.635 (3)
H50A	0.513109	1.082284	0.164810	0.152*	0.635 (3)
H50B	0.390715	1.096347	0.140523	0.152*	0.635 (3)
H50C	0.455686	1.045923	0.065926	0.152*	0.635 (3)
C47'	0.3098 (12)	0.7430 (7)	−0.0198 (9)	0.123 (5)	0.365 (3)
H47D	0.341560	0.684670	−0.015811	0.184*	0.365 (3)
H47E	0.311911	0.759301	−0.080586	0.184*	0.365 (3)
H47F	0.233335	0.729466	−0.004648	0.184*	0.365 (3)
O7'	0.3701 (11)	0.8220 (7)	0.0394 (7)	0.081 (3)	0.365 (3)
C48'	0.3130 (8)	0.8994 (7)	0.0576 (6)	0.058 (2)	0.365 (3)
H48C	0.256132	0.880522	0.098506	0.070*	0.365 (3)
H48D	0.275534	0.910183	0.001453	0.070*	0.365 (3)
C49'	0.3862 (6)	0.9894 (6)	0.0971 (5)	0.0588 (17)	0.365 (3)
H49C	0.434076	1.013468	0.051514	0.071*	0.365 (3)
H49D	0.341474	1.039346	0.113350	0.071*	0.365 (3)
O8'	0.4537 (5)	0.9837 (4)	0.1731 (5)	0.0576 (16)	0.365 (3)
C50'	0.5278 (6)	1.0682 (5)	0.2094 (6)	0.075 (2)	0.365 (3)
H50D	0.568345	1.055740	0.262626	0.112*	0.365 (3)
H50E	0.488251	1.121128	0.225666	0.112*	0.365 (3)
H50F	0.579497	1.087693	0.165594	0.112*	0.365 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.03367 (16)	0.02644 (15)	0.02166 (14)	0.00820 (12)	−0.00060 (11)	0.00209 (11)
K1	0.0330 (2)	0.0395 (2)	0.0360 (2)	0.00905 (17)	0.00047 (16)	0.00930 (17)
P1	0.0442 (3)	0.0393 (3)	0.0252 (2)	0.0117 (2)	0.00355 (19)	0.00551 (19)
P2	0.0402 (3)	0.0327 (2)	0.0278 (2)	0.0117 (2)	−0.00283 (19)	−0.00288 (18)
C1	0.0413 (10)	0.0253 (9)	0.0302 (9)	0.0097 (7)	−0.0057 (7)	0.0002 (7)
C2	0.0365 (10)	0.0386 (10)	0.0278 (9)	0.0129 (8)	−0.0012 (7)	0.0029 (7)
C3	0.0329 (9)	0.0408 (10)	0.0287 (9)	0.0042 (8)	−0.0006 (7)	0.0080 (8)
C4	0.0384 (10)	0.0271 (9)	0.0289 (9)	0.0012 (7)	−0.0046 (7)	0.0018 (7)
C5	0.0424 (11)	0.0607 (13)	0.0317 (10)	0.0143 (9)	−0.0007 (8)	0.0056 (9)
C6	0.0464 (12)	0.0877 (18)	0.0322 (11)	0.0227 (12)	0.0063 (9)	0.0194 (11)
C7	0.0402 (11)	0.0793 (17)	0.0483 (13)	0.0180 (11)	0.0087 (9)	0.0369 (12)
C8	0.0350 (10)	0.0534 (12)	0.0492 (12)	0.0126 (9)	0.0021 (9)	0.0235 (10)
C9	0.0335 (9)	0.0303 (9)	0.0373 (10)	0.0079 (7)	−0.0043 (7)	0.0076 (7)
C10	0.0351 (9)	0.0344 (9)	0.0307 (9)	0.0058 (7)	−0.0040 (7)	0.0007 (7)
C11	0.0285 (9)	0.0308 (9)	0.0304 (9)	0.0077 (7)	−0.0048 (7)	0.0052 (7)
C12	0.0292 (9)	0.0313 (9)	0.0267 (9)	0.0046 (7)	−0.0047 (7)	0.0028 (7)
C13	0.0297 (9)	0.0470 (11)	0.0287 (9)	0.0106 (8)	−0.0021 (7)	0.0078 (8)
C14	0.0259 (9)	0.0444 (10)	0.0369 (10)	0.0097 (7)	−0.0015 (7)	0.0151 (8)
C15	0.0369 (9)	0.0323 (9)	0.0280 (9)	0.0090 (7)	0.0033 (7)	0.0094 (7)
C16	0.0380 (10)	0.0269 (9)	0.0331 (9)	0.0079 (7)	0.0008 (7)	0.0018 (7)
C17	0.0402 (10)	0.0362 (10)	0.0259 (9)	0.0149 (8)	0.0007 (7)	−0.0015 (7)
C18	0.0416 (10)	0.0358 (10)	0.0233 (8)	0.0126 (8)	0.0032 (7)	0.0080 (7)
C19	0.0403 (10)	0.0352 (10)	0.0482 (11)	0.0115 (8)	0.0087 (9)	0.0106 (8)
C20	0.0345 (10)	0.0396 (11)	0.0578 (13)	0.0086 (8)	0.0040 (9)	0.0043 (9)
C21	0.0392 (11)	0.0477 (12)	0.0433 (11)	0.0120 (9)	−0.0047 (9)	−0.0013 (9)
C22	0.0430 (11)	0.0486 (11)	0.0340 (10)	0.0106 (9)	0.0007 (8)	0.0057 (8)
C23	0.0378 (10)	0.0396 (10)	0.0277 (9)	0.0101 (8)	0.0024 (7)	0.0098 (7)
C24	0.0410 (10)	0.0318 (9)	0.0304 (9)	0.0117 (8)	0.0065 (8)	0.0082 (7)
C25	0.0368 (9)	0.0286 (9)	0.0261 (8)	0.0115 (7)	0.0042 (7)	0.0045 (7)
C26	0.0398 (10)	0.0270 (8)	0.0253 (8)	0.0128 (7)	0.0046 (7)	0.0040 (7)
C27	0.0377 (10)	0.0280 (9)	0.0351 (9)	0.0124 (7)	0.0063 (8)	0.0019 (7)
C28	0.0382 (10)	0.0342 (9)	0.0297 (9)	0.0122 (8)	0.0029 (7)	0.0027 (7)
C29	0.0583 (14)	0.0766 (16)	0.0444 (12)	0.0291 (12)	0.0219 (10)	0.0211 (11)
C30	0.0508 (12)	0.0457 (11)	0.0451 (12)	0.0097 (9)	0.0109 (9)	0.0161 (9)
C31	0.0881 (18)	0.0603 (14)	0.0238 (10)	0.0047 (13)	0.0028 (10)	0.0031 (9)
C32	0.0613 (13)	0.0485 (12)	0.0262 (9)	0.0187 (10)	−0.0065 (9)	−0.0029 (8)
C33	0.0503 (12)	0.0421 (11)	0.0381 (11)	0.0183 (9)	0.0011 (9)	−0.0056 (8)
C34	0.0477 (12)	0.0381 (11)	0.0512 (12)	0.0086 (9)	−0.0035 (9)	−0.0119 (9)
C35	0.132 (4)	0.038 (2)	0.085 (3)	0.014 (2)	−0.011 (3)	0.0131 (19)
O1	0.050 (3)	0.0348 (15)	0.069 (2)	0.0101 (16)	−0.0064 (18)	0.0109 (14)
C36	0.054 (2)	0.061 (3)	0.069 (3)	0.025 (2)	−0.009 (2)	−0.012 (2)
C37	0.0392 (18)	0.068 (2)	0.0419 (18)	0.0078 (16)	0.0054 (14)	0.0001 (16)
O2	0.0423 (12)	0.0425 (12)	0.0447 (13)	0.0021 (9)	0.0080 (10)	0.0067 (9)
C38	0.075 (5)	0.055 (3)	0.075 (3)	−0.009 (3)	0.020 (3)	0.017 (2)
C35'	0.080 (8)	0.053 (6)	0.053 (6)	0.022 (6)	−0.001 (6)	0.012 (5)
O1'	0.035 (6)	0.043 (5)	0.047 (5)	0.005 (4)	0.007 (5)	0.016 (4)
C36'	0.068 (7)	0.060 (7)	0.079 (8)	0.014 (5)	0.051 (6)	0.021 (5)
C37'	0.081 (8)	0.051 (5)	0.060 (6)	0.008 (5)	0.039 (6)	0.011 (4)
O2'	0.043 (4)	0.042 (4)	0.063 (5)	−0.007 (3)	0.023 (3)	0.003 (3)
C38'	0.035 (6)	0.049 (7)	0.093 (16)	0.005 (5)	−0.006 (8)	0.027 (8)
C39	0.097 (4)	0.043 (2)	0.087 (3)	0.022 (3)	−0.011 (3)	0.004 (2)
O3	0.0567 (19)	0.0468 (18)	0.0559 (19)	0.0165 (15)	−0.0028 (14)	0.0152 (14)
C40	0.049 (2)	0.065 (3)	0.037 (2)	0.020 (2)	−0.0033 (17)	0.016 (2)
C41	0.052 (3)	0.062 (3)	0.030 (3)	0.005 (2)	−0.0006 (19)	0.009 (2)
O4	0.0536 (14)	0.0436 (14)	0.0352 (13)	0.0195 (11)	0.0046 (10)	0.0049 (10)
C42	0.057 (2)	0.049 (2)	0.070 (2)	0.0179 (17)	0.0084 (18)	−0.0076 (17)
C39'	0.069 (4)	0.035 (3)	0.058 (4)	0.015 (3)	0.013 (3)	0.008 (3)
O3'	0.046 (2)	0.045 (3)	0.052 (3)	0.006 (2)	−0.009 (2)	0.016 (2)
C40'	0.049 (4)	0.069 (4)	0.050 (4)	0.013 (3)	−0.003 (3)	0.015 (3)
C41'	0.044 (4)	0.070 (4)	0.049 (5)	−0.004 (3)	−0.007 (3)	0.008 (4)
O4'	0.070 (3)	0.049 (3)	0.037 (3)	−0.006 (2)	0.000 (2)	0.005 (2)
C42'	0.112 (11)	0.080 (9)	0.058 (6)	−0.003 (6)	0.022 (6)	−0.001 (5)
C43	0.069 (3)	0.102 (4)	0.091 (3)	−0.022 (3)	−0.020 (2)	−0.012 (3)
O5	0.0303 (16)	0.068 (2)	0.0641 (17)	−0.0041 (14)	0.0052 (12)	−0.0032 (15)
C44	0.039 (2)	0.064 (3)	0.082 (4)	0.008 (2)	0.014 (3)	0.028 (2)
C45	0.073 (3)	0.076 (3)	0.052 (2)	0.028 (2)	0.019 (2)	0.0232 (19)
O6	0.0515 (15)	0.0548 (15)	0.0625 (18)	0.0188 (12)	0.0056 (13)	0.0072 (13)
C46	0.073 (3)	0.074 (3)	0.091 (4)	0.040 (2)	0.000 (2)	0.005 (3)
C43'	0.067 (8)	0.084 (8)	0.097 (8)	−0.001 (6)	−0.007 (6)	−0.026 (6)
O5'	0.039 (4)	0.068 (6)	0.079 (5)	0.014 (4)	0.013 (4)	−0.001 (4)
C44'	0.046 (5)	0.064 (6)	0.080 (8)	0.016 (5)	0.005 (5)	0.015 (5)
C45'	0.056 (8)	0.096 (7)	0.048 (8)	−0.003 (6)	0.019 (6)	0.015 (6)
O6'	0.054 (4)	0.066 (4)	0.063 (5)	0.020 (3)	0.012 (4)	0.008 (4)
C46'	0.100 (16)	0.098 (10)	0.072 (11)	0.021 (10)	0.029 (10)	−0.013 (9)
C47	0.088 (4)	0.091 (4)	0.040 (2)	0.027 (3)	−0.010 (2)	−0.002 (2)
O7	0.076 (3)	0.122 (5)	0.044 (2)	0.059 (3)	−0.0115 (18)	−0.001 (3)
C48	0.067 (3)	0.117 (5)	0.060 (4)	0.048 (3)	0.005 (3)	0.017 (3)
C49	0.066 (3)	0.106 (4)	0.074 (4)	0.051 (3)	0.007 (3)	0.027 (3)
O8	0.088 (3)	0.052 (2)	0.098 (3)	0.029 (2)	0.018 (2)	0.026 (2)
C50	0.171 (6)	0.069 (3)	0.093 (4)	0.061 (4)	0.064 (4)	0.036 (3)
C47'	0.154 (11)	0.085 (6)	0.122 (10)	0.046 (7)	−0.081 (9)	−0.005 (6)
O7'	0.100 (5)	0.090 (5)	0.059 (4)	0.056 (4)	−0.037 (4)	−0.003 (3)
C48'	0.066 (5)	0.075 (5)	0.039 (6)	0.029 (4)	−0.001 (5)	0.008 (4)
C49'	0.060 (4)	0.058 (4)	0.072 (5)	0.029 (3)	0.011 (3)	0.033 (4)
O8'	0.051 (3)	0.041 (3)	0.078 (4)	0.012 (2)	−0.009 (3)	0.002 (2)
C50'	0.065 (4)	0.042 (4)	0.111 (7)	0.015 (3)	0.005 (4)	−0.016 (4)

Geometric parameters (Å, º)

V1—C16	2.1677 (18)	C37—H37B	0.9900
V1—C2	2.1886 (18)	O2—C38	1.405 (8)
V1—C17	2.2002 (17)	C38—H38A	0.9800
V1—C3	2.2232 (18)	C38—H38B	0.9800
V1—C15	2.3056 (17)	C38—H38C	0.9800
V1—C1	2.3076 (17)	C35'—O1'	1.420 (12)
V1—C18	2.3561 (18)	C35'—H35D	0.9800
V1—C4	2.3948 (17)	C35'—H35E	0.9800
V1—P1	2.4036 (5)	C35'—H35F	0.9800
V1—P2	2.4151 (5)	O1'—C36'	1.408 (12)
K1—O2'	2.718 (5)	C36'—C37'	1.463 (13)
K1—O5	2.734 (3)	C36'—H36C	0.9900
K1—O2	2.746 (2)	C36'—H36D	0.9900
K1—O8'	2.750 (6)	C37'—O2'	1.400 (10)
K1—O8	2.770 (4)	C37'—H37C	0.9900
K1—O3'	2.782 (5)	C37'—H37D	0.9900
K1—O7	2.786 (5)	O2'—C38'	1.405 (14)
K1—O7'	2.804 (9)	C38'—H38D	0.9800
K1—O4'	2.815 (4)	C38'—H38E	0.9800
K1—O6'	2.827 (6)	C38'—H38F	0.9800
K1—O5'	2.841 (10)	C39—O3	1.411 (5)
K1—O3	2.850 (3)	C39—H39A	0.9800
K1—O1'	2.852 (11)	C39—H39B	0.9800
K1—O4	2.855 (2)	C39—H39C	0.9800
K1—O1	2.861 (5)	O3—C40	1.415 (5)
K1—O6	2.875 (3)	C40—C41	1.486 (7)
P1—C29	1.840 (2)	C40—H40A	0.9900
P1—C30	1.842 (2)	C40—H40B	0.9900
P1—C31	1.876 (2)	C41—O4	1.402 (6)
P2—C34	1.833 (2)	C41—H41A	0.9900
P2—C33	1.8448 (18)	C41—H41B	0.9900
P2—C32	1.8453 (19)	O4—C42	1.415 (4)
C1—C2	1.427 (3)	C42—H42A	0.9800
C1—C11	1.455 (2)	C42—H42B	0.9800
C1—H1	0.927 (19)	C42—H42C	0.9800
C2—C3	1.403 (3)	C39'—O3'	1.425 (7)
C2—H2	0.97 (2)	C39'—H39D	0.9800
C3—C4	1.408 (3)	C39'—H39E	0.9800
C3—H3	0.92 (2)	C39'—H39F	0.9800
C4—C12	1.449 (2)	O3'—C40'	1.395 (7)
C4—H4	0.944 (19)	C40'—C41'	1.465 (9)
C5—C6	1.380 (3)	C40'—H40C	0.9900
C5—C13	1.410 (3)	C40'—H40D	0.9900
C5—H5	0.9500	C41'—O4'	1.450 (9)
C6—C7	1.392 (3)	C41'—H41C	0.9900
C6—H6	0.9500	C41'—H41D	0.9900
C7—C8	1.372 (3)	O4'—C42'	1.396 (10)
C7—H7	0.9500	C42'—H42D	0.9800
C8—C14	1.415 (3)	C42'—H42E	0.9800
C8—H8	0.9500	C42'—H42F	0.9800
C9—C11	1.374 (2)	C43—O5	1.422 (5)
C9—C14	1.423 (3)	C43—H43A	0.9800
C9—H9	0.9500	C43—H43B	0.9800
C10—C12	1.375 (2)	C43—H43C	0.9800
C10—C13	1.422 (3)	O5—C44	1.413 (5)
C10—H10	0.9500	C44—C45	1.494 (6)
C11—C12	1.440 (2)	C44—H44A	0.9900
C13—C14	1.426 (3)	C44—H44B	0.9900
C15—C16	1.443 (2)	C45—O6	1.415 (4)
C15—C25	1.461 (2)	C45—H45A	0.9900
C15—H15	0.93 (2)	C45—H45B	0.9900
C16—C17	1.399 (3)	O6—C46	1.421 (5)
C16—H16	0.938 (19)	C46—H46A	0.9800
C17—C18	1.424 (3)	C46—H46B	0.9800
C17—H17	0.95 (2)	C46—H46C	0.9800
C18—C26	1.458 (2)	C43'—O5'	1.446 (11)
C18—H18	0.94 (2)	C43'—H43D	0.9800
C19—C20	1.372 (3)	C43'—H43E	0.9800
C19—C27	1.413 (3)	C43'—H43F	0.9800
C19—H19	0.9500	O5'—C44'	1.424 (11)
C20—C21	1.396 (3)	C44'—C45'	1.538 (13)
C20—H20	0.9500	C44'—H44C	0.9900
C21—C22	1.368 (3)	C44'—H44D	0.9900
C21—H21	0.9500	C45'—O6'	1.419 (12)
C22—C28	1.412 (3)	C45'—H45C	0.9900
C22—H22	0.9500	C45'—H45D	0.9900
C23—C25	1.368 (2)	O6'—C46'	1.408 (13)
C23—C28	1.425 (2)	C46'—H46D	0.9800
C23—H23	0.9500	C46'—H46E	0.9800
C24—C26	1.369 (2)	C46'—H46F	0.9800
C24—C27	1.424 (2)	C47—O7	1.394 (6)
C24—H24	0.9500	C47—H47A	0.9800
C25—C26	1.438 (2)	C47—H47B	0.9800
C27—C28	1.424 (2)	C47—H47C	0.9800
C29—H29A	0.9800	O7—C48	1.426 (6)
C29—H29B	0.9800	C48—C49	1.414 (7)
C29—H29C	0.9800	C48—H48A	0.9900
C30—H30A	0.9800	C48—H48B	0.9900
C30—H30B	0.9800	C49—O8	1.428 (7)
C30—H30C	0.9800	C49—H49A	0.9900
C31—C32	1.522 (3)	C49—H49B	0.9900
C31—H31A	0.9900	O8—C50	1.396 (6)
C31—H31B	0.9900	C50—H50A	0.9800
C32—H32A	0.9900	C50—H50B	0.9800
C32—H32B	0.9900	C50—H50C	0.9800
C33—H33A	0.9800	C47'—O7'	1.391 (11)
C33—H33B	0.9800	C47'—H47D	0.9800
C33—H33C	0.9800	C47'—H47E	0.9800
C34—H34A	0.9800	C47'—H47F	0.9800
C34—H34B	0.9800	O7'—C48'	1.411 (10)
C34—H34C	0.9800	C48'—C49'	1.439 (11)
C35—O1	1.413 (5)	C48'—H48C	0.9900
C35—H35A	0.9800	C48'—H48D	0.9900
C35—H35B	0.9800	C49'—O8'	1.406 (9)
C35—H35C	0.9800	C49'—H49C	0.9900
O1—C36	1.419 (6)	C49'—H49D	0.9900
C36—C37	1.488 (5)	O8'—C50'	1.378 (8)
C36—H36A	0.9900	C50'—H50D	0.9800
C36—H36B	0.9900	C50'—H50E	0.9800
C37—O2	1.409 (4)	C50'—H50F	0.9800
C37—H37A	0.9900
C16—V1—C2	148.01 (7)	H34A—C34—H34C	109.5
C16—V1—C17	37.36 (7)	H34B—C34—H34C	109.5
C2—V1—C17	131.19 (7)	O1—C35—H35A	109.5
C16—V1—C3	111.06 (7)	O1—C35—H35B	109.5
C2—V1—C3	37.07 (7)	H35A—C35—H35B	109.5
C17—V1—C3	107.34 (7)	O1—C35—H35C	109.5
C16—V1—C15	37.47 (6)	H35A—C35—H35C	109.5
C2—V1—C15	163.04 (7)	H35B—C35—H35C	109.5
C17—V1—C15	63.93 (6)	C35—O1—C36	111.4 (4)
C3—V1—C15	139.82 (7)	C35—O1—K1	118.4 (4)
C16—V1—C1	145.47 (7)	C36—O1—K1	113.4 (3)
C2—V1—C1	36.90 (7)	O1—C36—C37	111.1 (4)
C17—V1—C1	109.01 (7)	O1—C36—H36A	109.4
C3—V1—C1	64.00 (7)	C37—C36—H36A	109.4
C15—V1—C1	155.58 (7)	O1—C36—H36B	109.4
C16—V1—C18	64.29 (7)	C37—C36—H36B	109.4
C2—V1—C18	127.10 (7)	H36A—C36—H36B	108.0
C17—V1—C18	36.21 (6)	O2—C37—C36	109.0 (3)
C3—V1—C18	128.38 (6)	O2—C37—K1	45.68 (13)
C15—V1—C18	69.23 (6)	C36—C37—K1	82.8 (3)
C1—V1—C18	91.35 (6)	O2—C37—H37A	109.9
C16—V1—C4	88.04 (7)	C36—C37—H37A	109.9
C2—V1—C4	62.78 (6)	K1—C37—H37A	155.6
C17—V1—C4	72.94 (7)	O2—C37—H37B	109.9
C3—V1—C4	35.26 (6)	C36—C37—H37B	109.9
C15—V1—C4	125.33 (6)	K1—C37—H37B	85.4
C1—V1—C4	69.06 (6)	H37A—C37—H37B	108.3
C18—V1—C4	94.80 (6)	C38—O2—C37	113.0 (5)
C16—V1—P1	89.78 (5)	C38—O2—K1	115.2 (4)
C2—V1—P1	87.16 (5)	C37—O2—K1	112.79 (17)
C17—V1—P1	126.66 (5)	O2—C38—H38A	109.5
C3—V1—P1	80.97 (5)	O2—C38—H38B	109.5
C15—V1—P1	76.23 (5)	H38A—C38—H38B	109.5
C1—V1—P1	121.02 (5)	O2—C38—H38C	109.5
C18—V1—P1	145.35 (5)	H38A—C38—H38C	109.5
C4—V1—P1	107.51 (5)	H38B—C38—H38C	109.5
C16—V1—P2	120.98 (5)	O1'—C35'—H35D	109.5
C2—V1—P2	89.49 (5)	O1'—C35'—H35E	109.5
C17—V1—P2	127.44 (5)	H35D—C35'—H35E	109.5
C3—V1—P2	123.19 (5)	O1'—C35'—H35F	109.5
C15—V1—P2	83.86 (5)	H35D—C35'—H35F	109.5
C1—V1—P2	83.34 (5)	H35E—C35'—H35F	109.5
C18—V1—P2	95.23 (5)	C36'—O1'—C35'	110.8 (11)
C4—V1—P2	150.79 (5)	C36'—O1'—K1	113.8 (8)
P1—V1—P2	78.169 (19)	C35'—O1'—K1	125.3 (9)
O5—K1—O2	146.76 (8)	O1'—C36'—C37'	109.9 (11)
O2'—K1—O8'	72.8 (2)	O1'—C36'—H36C	109.7
O5—K1—O8	106.33 (13)	C37'—C36'—H36C	109.7
O2—K1—O8	96.89 (11)	O1'—C36'—H36D	109.7
O2'—K1—O3'	106.7 (2)	C37'—C36'—H36D	109.7
O8'—K1—O3'	143.08 (18)	H36C—C36'—H36D	108.2
O5—K1—O7	80.12 (18)	O2'—C37'—C36'	112.3 (11)
O2—K1—O7	90.71 (16)	O2'—C37'—H37C	109.1
O8—K1—O7	61.73 (15)	C36'—C37'—H37C	109.1
O2'—K1—O7'	74.4 (4)	O2'—C37'—H37D	109.1
O8'—K1—O7'	61.1 (2)	C36'—C37'—H37D	109.1
O3'—K1—O7'	155.7 (2)	H37C—C37'—H37D	107.9
O2'—K1—O4'	78.5 (2)	C37'—O2'—C38'	115.7 (13)
O8'—K1—O4'	83.91 (15)	C37'—O2'—K1	107.3 (5)
O3'—K1—O4'	60.55 (15)	C38'—O2'—K1	132.6 (14)
O7'—K1—O4'	140.6 (3)	O2'—C38'—H38D	109.5
O2'—K1—O6'	154.1 (2)	O2'—C38'—H38E	109.5
O8'—K1—O6'	81.5 (2)	H38D—C38'—H38E	109.5
O3'—K1—O6'	95.5 (2)	O2'—C38'—H38F	109.5
O7'—K1—O6'	90.9 (3)	H38D—C38'—H38F	109.5
O4'—K1—O6'	101.9 (2)	H38E—C38'—H38F	109.5
O2'—K1—O5'	138.1 (2)	O3—C39—H39A	109.5
O8'—K1—O5'	130.8 (2)	O3—C39—H39B	109.5
O3'—K1—O5'	75.0 (3)	H39A—C39—H39B	109.5
O7'—K1—O5'	88.1 (4)	O3—C39—H39C	109.5
O4'—K1—O5'	130.6 (3)	H39A—C39—H39C	109.5
O6'—K1—O5'	60.1 (2)	H39B—C39—H39C	109.5
O5—K1—O3	90.41 (11)	C39—O3—C40	112.8 (4)
O2—K1—O3	87.74 (9)	C39—O3—K1	121.1 (3)
O8—K1—O3	138.11 (12)	C40—O3—K1	104.4 (2)
O7—K1—O3	160.14 (13)	O3—C40—C41	109.1 (4)
O2'—K1—O1'	61.2 (3)	O3—C40—H40A	109.9
O8'—K1—O1'	129.6 (3)	C41—C40—H40A	109.9
O3'—K1—O1'	73.6 (4)	O3—C40—H40B	109.9
O7'—K1—O1'	86.5 (4)	C41—C40—H40B	109.9
O4'—K1—O1'	104.9 (4)	H40A—C40—H40B	108.3
O6'—K1—O1'	140.5 (3)	O4—C41—C40	110.4 (4)
O5'—K1—O1'	80.4 (3)	O4—C41—H41A	109.6
O5—K1—O4	129.21 (9)	C40—C41—H41A	109.6
O2—K1—O4	77.46 (7)	O4—C41—H41B	109.6
O8—K1—O4	80.05 (11)	C40—C41—H41B	109.6
O7—K1—O4	138.40 (14)	H41A—C41—H41B	108.1
O3—K1—O4	60.30 (8)	C41—O4—C42	111.9 (3)
O5—K1—O1	86.07 (12)	C41—O4—K1	114.8 (3)
O2—K1—O1	60.74 (11)	C42—O4—K1	118.4 (2)
O8—K1—O1	129.10 (16)	O4—C42—H42A	109.5
O7—K1—O1	72.78 (17)	O4—C42—H42B	109.5
O3—K1—O1	89.29 (15)	H42A—C42—H42B	109.5
O4—K1—O1	129.42 (14)	O4—C42—H42C	109.5
O5—K1—O6	61.36 (9)	H42A—C42—H42C	109.5
O2—K1—O6	149.72 (8)	H42B—C42—H42C	109.5
O8—K1—O6	76.01 (11)	O3'—C39'—H39D	109.5
O7—K1—O6	110.45 (14)	O3'—C39'—H39E	109.5
O3—K1—O6	79.34 (9)	H39D—C39'—H39E	109.5
O4—K1—O6	72.34 (8)	O3'—C39'—H39F	109.5
O1—K1—O6	145.06 (11)	H39D—C39'—H39F	109.5
C29—P1—C30	95.76 (10)	H39E—C39'—H39F	109.5
C29—P1—C31	98.58 (11)	C40'—O3'—C39'	111.1 (5)
C30—P1—C31	100.81 (10)	C40'—O3'—K1	119.0 (4)
C29—P1—V1	122.31 (7)	C39'—O3'—K1	129.5 (4)
C30—P1—V1	121.94 (7)	O3'—C40'—C41'	109.2 (6)
C31—P1—V1	113.00 (7)	O3'—C40'—H40C	109.8
C34—P2—C33	98.83 (9)	C41'—C40'—H40C	109.8
C34—P2—C32	100.21 (10)	O3'—C40'—H40D	109.8
C33—P2—C32	99.57 (9)	C41'—C40'—H40D	109.8
C34—P2—V1	126.24 (7)	H40C—C40'—H40D	108.3
C33—P2—V1	118.15 (7)	O4'—C41'—C40'	115.0 (6)
C32—P2—V1	109.56 (7)	O4'—C41'—K1	54.1 (3)
C2—C1—C11	120.08 (16)	C40'—C41'—K1	88.2 (4)
C2—C1—V1	67.02 (10)	O4'—C41'—H41C	108.5
C11—C1—V1	106.54 (11)	C40'—C41'—H41C	108.5
C2—C1—H1	118.5 (12)	K1—C41'—H41C	160.8
C11—C1—H1	115.0 (12)	O4'—C41'—H41D	108.5
V1—C1—H1	120.2 (12)	C40'—C41'—H41D	108.5
C3—C2—C1	116.15 (17)	K1—C41'—H41D	74.7
C3—C2—V1	72.81 (10)	H41C—C41'—H41D	107.5
C1—C2—V1	76.08 (10)	C42'—O4'—C41'	112.6 (8)
C3—C2—H2	122.3 (11)	C42'—O4'—K1	122.2 (7)
C1—C2—H2	121.5 (11)	C41'—O4'—K1	101.3 (4)
V1—C2—H2	123.0 (11)	O4'—C42'—H42D	109.5
C2—C3—C4	116.77 (17)	O4'—C42'—H42E	109.5
C2—C3—V1	70.13 (10)	H42D—C42'—H42E	109.5
C4—C3—V1	79.04 (11)	O4'—C42'—H42F	109.5
C2—C3—H3	121.5 (12)	H42D—C42'—H42F	109.5
C4—C3—H3	121.7 (12)	H42E—C42'—H42F	109.5
V1—C3—H3	121.7 (12)	O5—C43—H43A	109.5
C3—C4—C12	121.42 (16)	O5—C43—H43B	109.5
C3—C4—V1	65.70 (10)	H43A—C43—H43B	109.5
C12—C4—V1	103.68 (11)	O5—C43—H43C	109.5
C3—C4—H4	117.9 (12)	H43A—C43—H43C	109.5
C12—C4—H4	117.6 (12)	H43B—C43—H43C	109.5
V1—C4—H4	116.7 (12)	C44—O5—C43	110.8 (3)
C6—C5—C13	121.5 (2)	C44—O5—K1	119.4 (2)
C6—C5—H5	119.2	C43—O5—K1	121.1 (3)
C13—C5—H5	119.2	O5—C44—C45	107.9 (3)
C5—C6—C7	119.8 (2)	O5—C44—H44A	110.1
C5—C6—H6	120.1	C45—C44—H44A	110.1
C7—C6—H6	120.1	O5—C44—H44B	110.1
C8—C7—C6	120.59 (19)	C45—C44—H44B	110.1
C8—C7—H7	119.7	H44A—C44—H44B	108.4
C6—C7—H7	119.7	O6—C45—C44	113.0 (3)
C7—C8—C14	121.1 (2)	O6—C45—H45A	109.0
C7—C8—H8	119.5	C44—C45—H45A	109.0
C14—C8—H8	119.5	O6—C45—H45B	109.0
C11—C9—C14	122.04 (16)	C44—C45—H45B	109.0
C11—C9—H9	119.0	H45A—C45—H45B	107.8
C14—C9—H9	119.0	C45—O6—C46	113.0 (4)
C12—C10—C13	121.88 (17)	C45—O6—K1	104.6 (2)
C12—C10—H10	119.1	C46—O6—K1	128.0 (4)
C13—C10—H10	119.1	O6—C46—H46A	109.5
C9—C11—C12	119.19 (16)	O6—C46—H46B	109.5
C9—C11—C1	125.97 (16)	H46A—C46—H46B	109.5
C12—C11—C1	114.80 (15)	O6—C46—H46C	109.5
C10—C12—C11	119.57 (16)	H46A—C46—H46C	109.5
C10—C12—C4	125.22 (16)	H46B—C46—H46C	109.5
C11—C12—C4	115.15 (15)	O5'—C43'—H43D	109.5
C5—C13—C10	123.00 (18)	O5'—C43'—H43E	109.5
C5—C13—C14	118.40 (17)	H43D—C43'—H43E	109.5
C10—C13—C14	118.60 (16)	O5'—C43'—H43F	109.5
C8—C14—C9	122.70 (18)	H43D—C43'—H43F	109.5
C8—C14—C13	118.64 (18)	H43E—C43'—H43F	109.5
C9—C14—C13	118.66 (16)	C44'—O5'—C43'	109.3 (9)
C16—C15—C25	117.82 (15)	C44'—O5'—K1	114.8 (7)
C16—C15—V1	66.07 (10)	C43'—O5'—K1	123.4 (8)
C25—C15—V1	110.71 (11)	O5'—C44'—C45'	107.0 (11)
C16—C15—H15	117.8 (12)	O5'—C44'—H44C	110.3
C25—C15—H15	113.8 (12)	C45'—C44'—H44C	110.3
V1—C15—H15	122.8 (12)	O5'—C44'—H44D	110.3
C17—C16—C15	114.26 (16)	C45'—C44'—H44D	110.3
C17—C16—V1	72.58 (10)	H44C—C44'—H44D	108.6
C15—C16—V1	76.46 (10)	O6'—C45'—C44'	106.7 (11)
C17—C16—H16	123.0 (12)	O6'—C45'—H45C	110.4
C15—C16—H16	122.5 (12)	C44'—C45'—H45C	110.4
V1—C16—H16	123.3 (12)	O6'—C45'—H45D	110.4
C16—C17—C18	117.42 (16)	C44'—C45'—H45D	110.4
C16—C17—V1	70.06 (10)	H45C—C45'—H45D	108.6
C18—C17—V1	77.87 (10)	C46'—O6'—C45'	113.9 (12)
C16—C17—H17	123.1 (12)	C46'—O6'—K1	117.1 (11)
C18—C17—H17	119.5 (11)	C45'—O6'—K1	111.8 (7)
V1—C17—H17	121.7 (12)	O6'—C46'—H46D	109.5
C17—C18—C26	117.33 (15)	O6'—C46'—H46E	109.5
C17—C18—V1	65.92 (10)	H46D—C46'—H46E	109.5
C26—C18—V1	109.43 (11)	O6'—C46'—H46F	109.5
C17—C18—H18	116.4 (11)	H46D—C46'—H46F	109.5
C26—C18—H18	118.8 (12)	H46E—C46'—H46F	109.5
V1—C18—H18	117.5 (11)	O7—C47—H47A	109.5
C20—C19—C27	121.69 (18)	O7—C47—H47B	109.5
C20—C19—H19	119.2	H47A—C47—H47B	109.5
C27—C19—H19	119.2	O7—C47—H47C	109.5
C19—C20—C21	120.26 (18)	H47A—C47—H47C	109.5
C19—C20—H20	119.9	H47B—C47—H47C	109.5
C21—C20—H20	119.9	C47—O7—C48	111.6 (5)
C22—C21—C20	119.75 (18)	C47—O7—K1	135.2 (4)
C22—C21—H21	120.1	C48—O7—K1	113.2 (3)
C20—C21—H21	120.1	C49—C48—O7	111.5 (5)
C21—C22—C28	121.57 (18)	C49—C48—H48A	109.3
C21—C22—H22	119.2	O7—C48—H48A	109.3
C28—C22—H22	119.2	C49—C48—H48B	109.3
C25—C23—C28	122.12 (16)	O7—C48—H48B	109.3
C25—C23—H23	118.9	H48A—C48—H48B	108.0
C28—C23—H23	118.9	C48—C49—O8	114.0 (5)
C26—C24—C27	121.85 (16)	C48—C49—H49A	108.8
C26—C24—H24	119.1	O8—C49—H49A	108.8
C27—C24—H24	119.1	C48—C49—H49B	108.8
C23—C25—C26	119.42 (16)	O8—C49—H49B	108.8
C23—C25—C15	125.65 (15)	H49A—C49—H49B	107.7
C26—C25—C15	114.89 (15)	C50—O8—C49	112.8 (5)
C24—C26—C25	119.49 (16)	C50—O8—K1	141.2 (4)
C24—C26—C18	126.41 (15)	C49—O8—K1	99.0 (3)
C25—C26—C18	114.09 (15)	O8—C50—H50A	109.5
C19—C27—C28	117.83 (16)	O8—C50—H50B	109.5
C19—C27—C24	123.45 (16)	H50A—C50—H50B	109.5
C28—C27—C24	118.72 (16)	O8—C50—H50C	109.5
C22—C28—C27	118.87 (17)	H50A—C50—H50C	109.5
C22—C28—C23	122.80 (16)	H50B—C50—H50C	109.5
C27—C28—C23	118.32 (16)	O7'—C47'—H47D	109.5
P1—C29—H29A	109.5	O7'—C47'—H47E	109.5
P1—C29—H29B	109.5	H47D—C47'—H47E	109.5
H29A—C29—H29B	109.5	O7'—C47'—H47F	109.5
P1—C29—H29C	109.5	H47D—C47'—H47F	109.5
H29A—C29—H29C	109.5	H47E—C47'—H47F	109.5
H29B—C29—H29C	109.5	C47'—O7'—C48'	113.0 (9)
P1—C30—H30A	109.5	C47'—O7'—K1	122.1 (8)
P1—C30—H30B	109.5	C48'—O7'—K1	106.4 (6)
H30A—C30—H30B	109.5	O7'—C48'—C49'	111.5 (8)
P1—C30—H30C	109.5	O7'—C48'—K1	50.7 (5)
H30A—C30—H30C	109.5	C49'—C48'—K1	82.7 (5)
H30B—C30—H30C	109.5	O7'—C48'—H48C	109.3
C32—C31—P1	112.62 (14)	C49'—C48'—H48C	109.3
C32—C31—H31A	109.1	K1—C48'—H48C	81.7
P1—C31—H31A	109.1	O7'—C48'—H48D	109.3
C32—C31—H31B	109.1	C49'—C48'—H48D	109.3
P1—C31—H31B	109.1	K1—C48'—H48D	160.0
H31A—C31—H31B	107.8	H48C—C48'—H48D	108.0
C31—C32—P2	111.34 (14)	O8'—C49'—C48'	116.2 (7)
C31—C32—H32A	109.4	O8'—C49'—H49C	108.2
P2—C32—H32A	109.4	C48'—C49'—H49C	108.2
C31—C32—H32B	109.4	O8'—C49'—H49D	108.2
P2—C32—H32B	109.4	C48'—C49'—H49D	108.2
H32A—C32—H32B	108.0	H49C—C49'—H49D	107.4
P2—C33—H33A	109.5	C50'—O8'—C49'	116.9 (7)
P2—C33—H33B	109.5	C50'—O8'—K1	124.6 (5)
H33A—C33—H33B	109.5	C49'—O8'—K1	115.7 (5)
P2—C33—H33C	109.5	O8'—C50'—H50D	109.5
H33A—C33—H33C	109.5	O8'—C50'—H50E	109.5
H33B—C33—H33C	109.5	H50D—C50'—H50E	109.5
P2—C34—H34A	109.5	O8'—C50'—H50F	109.5
P2—C34—H34B	109.5	H50D—C50'—H50F	109.5
H34A—C34—H34B	109.5	H50E—C50'—H50F	109.5
P2—C34—H34C	109.5
C11—C1—C2—C3	33.9 (2)	V1—C18—C26—C25	34.13 (17)
V1—C1—C2—C3	−62.55 (14)	C20—C19—C27—C28	−1.8 (3)
C11—C1—C2—V1	96.42 (15)	C20—C19—C27—C24	179.25 (17)
C1—C2—C3—C4	−1.5 (2)	C26—C24—C27—C19	179.43 (16)
V1—C2—C3—C4	−65.87 (14)	C26—C24—C27—C28	0.5 (2)
C1—C2—C3—V1	64.38 (14)	C21—C22—C28—C27	−0.7 (3)
C2—C3—C4—C12	−30.7 (2)	C21—C22—C28—C23	178.06 (18)
V1—C3—C4—C12	−91.62 (15)	C19—C27—C28—C22	1.9 (2)
C2—C3—C4—V1	60.95 (14)	C24—C27—C28—C22	−179.12 (16)
C13—C5—C6—C7	0.7 (3)	C19—C27—C28—C23	−176.97 (16)
C5—C6—C7—C8	0.2 (3)	C24—C27—C28—C23	2.1 (2)
C6—C7—C8—C14	−0.6 (3)	C25—C23—C28—C22	178.64 (17)
C14—C9—C11—C12	−1.5 (2)	C25—C23—C28—C27	−2.6 (3)
C14—C9—C11—C1	176.11 (16)	C29—P1—C31—C32	−133.07 (18)
C2—C1—C11—C9	148.50 (18)	C30—P1—C31—C32	129.34 (17)
V1—C1—C11—C9	−138.88 (15)	V1—P1—C31—C32	−2.4 (2)
C2—C1—C11—C12	−33.8 (2)	P1—C31—C32—P2	28.7 (2)
V1—C1—C11—C12	38.84 (17)	C34—P2—C32—C31	−178.35 (15)
C13—C10—C12—C11	−1.8 (3)	C33—P2—C32—C31	80.79 (16)
C13—C10—C12—C4	−178.92 (16)	V1—P2—C32—C31	−43.80 (16)
C9—C11—C12—C10	2.7 (2)	C35—O1—C36—C37	−173.2 (4)
C1—C11—C12—C10	−175.18 (15)	K1—O1—C36—C37	−36.6 (5)
C9—C11—C12—C4	−179.87 (15)	O1—C36—C37—O2	64.4 (5)
C1—C11—C12—C4	2.2 (2)	O1—C36—C37—K1	26.4 (4)
C3—C4—C12—C10	−152.89 (18)	C36—C37—O2—C38	168.5 (6)
V1—C4—C12—C10	137.45 (15)	K1—C37—O2—C38	−132.9 (6)
C3—C4—C12—C11	29.9 (2)	C36—C37—O2—K1	−58.6 (3)
V1—C4—C12—C11	−39.80 (16)	C35'—O1'—C36'—C37'	−173.7 (13)
C6—C5—C13—C10	177.86 (18)	K1—O1'—C36'—C37'	−26.3 (18)
C6—C5—C13—C14	−1.3 (3)	O1'—C36'—C37'—O2'	64.0 (18)
C12—C10—C13—C5	−179.47 (17)	C36'—C37'—O2'—C38'	93.5 (18)
C12—C10—C13—C14	−0.3 (3)	C36'—C37'—O2'—K1	−66.0 (11)
C7—C8—C14—C9	−179.76 (17)	C39—O3—C40—C41	−158.6 (4)
C7—C8—C14—C13	0.1 (3)	K1—O3—C40—C41	68.0 (4)
C11—C9—C14—C8	179.27 (16)	O3—C40—C41—O4	−69.2 (5)
C11—C9—C14—C13	−0.6 (2)	C40—C41—O4—C42	168.4 (4)
C5—C13—C14—C8	0.8 (2)	C40—C41—O4—K1	29.7 (6)
C10—C13—C14—C8	−178.33 (16)	C39'—O3'—C40'—C41'	176.3 (6)
C5—C13—C14—C9	−179.31 (16)	K1—O3'—C40'—C41'	−10.5 (8)
C10—C13—C14—C9	1.5 (2)	O3'—C40'—C41'—O4'	56.0 (8)
C25—C15—C16—C17	−38.2 (2)	O3'—C40'—C41'—K1	7.5 (6)
V1—C15—C16—C17	63.50 (13)	C40'—C41'—O4'—C42'	64.6 (10)
C25—C15—C16—V1	−101.73 (14)	K1—C41'—O4'—C42'	132.2 (8)
C15—C16—C17—C18	−1.9 (2)	C40'—C41'—O4'—K1	−67.6 (6)
V1—C16—C17—C18	63.89 (15)	C43—O5—C44—C45	179.5 (4)
C15—C16—C17—V1	−65.76 (14)	K1—O5—C44—C45	−32.5 (4)
C16—C17—C18—C26	40.6 (2)	O5—C44—C45—O6	65.5 (4)
V1—C17—C18—C26	100.32 (14)	C44—C45—O6—C46	83.0 (5)
C16—C17—C18—V1	−59.71 (14)	C44—C45—O6—K1	−60.4 (3)
C27—C19—C20—C21	0.5 (3)	C43'—O5'—C44'—C45'	169.9 (12)
C19—C20—C21—C22	0.8 (3)	K1—O5'—C44'—C45'	−46.5 (14)
C20—C21—C22—C28	−0.6 (3)	O5'—C44'—C45'—O6'	70.8 (15)
C28—C23—C25—C26	0.6 (3)	C44'—C45'—O6'—C46'	165.8 (15)
C28—C23—C25—C15	−177.06 (16)	C44'—C45'—O6'—K1	−58.5 (13)
C16—C15—C25—C23	−142.65 (18)	C47—O7—C48—C49	169.3 (6)
V1—C15—C25—C23	144.26 (15)	K1—O7—C48—C49	−11.8 (7)
C16—C15—C25—C26	39.6 (2)	O7—C48—C49—O8	61.1 (8)
V1—C15—C25—C26	−33.46 (17)	C48—C49—O8—C50	85.0 (6)
C27—C24—C26—C25	−2.5 (2)	C48—C49—O8—K1	−72.3 (6)
C27—C24—C26—C18	178.68 (16)	C47'—O7'—C48'—C49'	−163.4 (11)
C23—C25—C26—C24	2.0 (2)	K1—O7'—C48'—C49'	60.1 (10)
C15—C25—C26—C24	179.87 (15)	C47'—O7'—C48'—K1	136.5 (15)
C23—C25—C26—C18	−179.05 (15)	O7'—C48'—C49'—O8'	−53.1 (11)
C15—C25—C26—C18	−1.2 (2)	K1—C48'—C49'—O8'	−10.6 (6)
C17—C18—C26—C24	140.74 (18)	C48'—C49'—O8'—C50'	177.1 (8)
V1—C18—C26—C24	−147.00 (15)	C48'—C49'—O8'—K1	14.8 (9)
C17—C18—C26—C25	−38.1 (2)

(µ₃-η⁶:η⁶:η⁶-Anthracene)(µ₂-η⁶:η⁶-anthracene)tris(tetrahydrofuran)sodiumdivanadium (8)

Crystal data

[NaV2(C14H10)2(C4H8O)3]	Z = 2
Mr = 697.62	F(000) = 730
Triclinic, P1	Dx = 1.430 Mg m^−3
a = 10.9951 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 12.0777 (18) Å	Cell parameters from 2463 reflections
c = 13.502 (2) Å	θ = 1.6–27.5°
α = 78.594 (3)°	µ = 0.63 mm^−1
β = 68.517 (3)°	T = 173 K
γ = 78.738 (3)°	Block, red-brown
V = 1620.6 (4) Å^3	0.30 × 0.30 × 0.20 mm

Data collection

Siemens SMART CCD platform diffractometer	4598 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.054
ω scans	θmax = 27.5°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −14→14
Tmin = 0.834, Tmax = 0.884	k = −15→15
19641 measured reflections	l = −17→17
7405 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.044	Hydrogen site location: mixed
wR(F^2) = 0.119	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0492P)^2 + 0.2398P] where P = (Fo^2 + 2Fc^2)/3
7405 reflections	(Δ/σ)max = 0.001
631 parameters	Δρmax = 0.42 e Å^−3
381 restraints	Δρmin = −0.29 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. The three THF ligands are modeled as disordered over two positions (0.58 (1):0.42 (1)). Analogous bond lengths and angles were restrained to be similar. Anisotropic displacement parameters for proximal atoms were restrained to be similar and restrained toward the expected motion relative to bond direction.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
V1	0.08628 (4)	0.56776 (4)	0.72351 (3)	0.02182 (13)
V2	0.53909 (4)	0.49681 (4)	0.75667 (3)	0.02019 (12)
C1	0.0427 (3)	0.4023 (2)	0.8257 (2)	0.0292 (6)
H1	0.007 (2)	0.389 (2)	0.897 (2)	0.017 (7)*
C2	−0.0390 (3)	0.4324 (3)	0.7611 (2)	0.0317 (7)
H2	−0.126 (3)	0.446 (2)	0.796 (2)	0.039 (9)*
C3	0.0187 (3)	0.4572 (2)	0.6492 (2)	0.0296 (6)
H3	−0.037 (3)	0.483 (2)	0.606 (2)	0.027 (7)*
C4	0.1567 (3)	0.4504 (2)	0.6011 (2)	0.0260 (6)
H4	0.194 (3)	0.473 (2)	0.527 (2)	0.030 (8)*
C5	0.6035 (3)	0.3786 (2)	0.6336 (2)	0.0246 (6)
H5	0.644 (3)	0.395 (2)	0.562 (2)	0.027 (7)*
C6	0.6852 (3)	0.3502 (2)	0.6978 (2)	0.0286 (6)
H6	0.775 (3)	0.358 (2)	0.662 (2)	0.031 (8)*
C7	0.6283 (3)	0.3272 (2)	0.8101 (2)	0.0300 (7)
H7	0.682 (3)	0.314 (2)	0.850 (2)	0.032 (8)*
C8	0.4899 (3)	0.3326 (2)	0.8588 (2)	0.0263 (6)
H8	0.449 (2)	0.320 (2)	0.934 (2)	0.021 (7)*
C9	0.2670 (3)	0.3595 (2)	0.8409 (2)	0.0249 (6)
H9	0.233 (3)	0.341 (2)	0.917 (2)	0.034 (8)*
C10	0.3810 (3)	0.4047 (2)	0.6176 (2)	0.0221 (6)
H10	0.421 (3)	0.422 (2)	0.543 (2)	0.034 (8)*
C11	0.1840 (3)	0.3876 (2)	0.7794 (2)	0.0236 (6)
C12	0.2438 (2)	0.4121 (2)	0.6623 (2)	0.0216 (5)
C13	0.4640 (2)	0.3772 (2)	0.6794 (2)	0.0205 (5)
C14	0.4046 (2)	0.3528 (2)	0.7959 (2)	0.0222 (6)
C15	0.0197 (3)	0.6861 (2)	0.8464 (2)	0.0277 (6)
H15	−0.023 (3)	0.667 (2)	0.921 (2)	0.034 (8)*
C16	−0.0615 (3)	0.7129 (2)	0.7815 (2)	0.0303 (6)
H16	−0.151 (3)	0.711 (2)	0.814 (2)	0.027 (7)*
C17	−0.0029 (3)	0.7356 (2)	0.6691 (2)	0.0298 (6)
H17	−0.057 (2)	0.748 (2)	0.626 (2)	0.023 (7)*
C18	0.1352 (3)	0.7317 (2)	0.6217 (2)	0.0276 (6)
H18	0.169 (3)	0.742 (2)	0.549 (2)	0.037 (9)*
C19	0.5821 (2)	0.6649 (2)	0.6570 (2)	0.0230 (6)
H19	0.626 (2)	0.680 (2)	0.578 (2)	0.020 (7)*
C20	0.6628 (3)	0.6321 (2)	0.7222 (2)	0.0265 (6)
H20	0.749 (3)	0.627 (2)	0.690 (2)	0.023 (7)*
C21	0.6050 (3)	0.6063 (2)	0.8343 (2)	0.0258 (6)
H21	0.659 (3)	0.576 (2)	0.881 (2)	0.032 (8)*
C22	0.4656 (3)	0.6127 (2)	0.8820 (2)	0.0237 (6)
H22	0.429 (2)	0.592 (2)	0.957 (2)	0.024 (7)*
C23	0.2426 (2)	0.6624 (2)	0.8641 (2)	0.0222 (6)
H23	0.202 (3)	0.643 (2)	0.936 (2)	0.041 (9)*
C24	0.3565 (2)	0.7135 (2)	0.6414 (2)	0.0212 (5)
H24	0.399 (2)	0.7279 (19)	0.5685 (19)	0.013 (6)*
C25	0.1589 (2)	0.6879 (2)	0.8023 (2)	0.0223 (6)
C26	0.2197 (2)	0.7136 (2)	0.6848 (2)	0.0208 (5)
C27	0.4412 (2)	0.6795 (2)	0.70301 (19)	0.0198 (5)
C28	0.3802 (2)	0.6525 (2)	0.8198 (2)	0.0209 (5)
Na1	0.27079 (12)	0.89469 (9)	0.76847 (10)	0.0401 (3)
O1	0.1991 (18)	0.9538 (11)	0.9328 (8)	0.060 (3)	0.580 (10)
C29	0.169 (2)	1.0690 (11)	0.9583 (15)	0.057 (3)	0.580 (10)
H29A	0.078566	1.082458	1.010707	0.068*	0.580 (10)
H29B	0.176740	1.125297	0.892846	0.068*	0.580 (10)
C30	0.272 (2)	1.0759 (14)	1.0064 (19)	0.056 (4)	0.580 (10)
H30A	0.234756	1.125798	1.063446	0.067*	0.580 (10)
H30B	0.349521	1.106656	0.950440	0.067*	0.580 (10)
C31	0.3102 (16)	0.9545 (14)	1.0530 (14)	0.049 (3)	0.580 (10)
H31A	0.406906	0.932391	1.024654	0.059*	0.580 (10)
H31B	0.280768	0.946222	1.132416	0.059*	0.580 (10)
C32	0.2399 (10)	0.8828 (8)	1.0171 (9)	0.047 (2)	0.580 (10)
H32A	0.299878	0.814436	0.990053	0.056*	0.580 (10)
H32B	0.162303	0.857756	1.077676	0.056*	0.580 (10)
O2	0.1282 (9)	1.0339 (8)	0.7084 (9)	0.054 (3)	0.580 (10)
C33	0.0264 (12)	1.0140 (9)	0.6742 (9)	0.066 (3)	0.580 (10)
H33A	0.048004	0.937479	0.651140	0.079*	0.580 (10)
H33B	−0.058417	1.016244	0.734780	0.079*	0.580 (10)
C34	0.0143 (10)	1.0980 (7)	0.5879 (7)	0.067 (3)	0.580 (10)
H34A	−0.079125	1.130466	0.600454	0.080*	0.580 (10)
H34B	0.049925	1.065439	0.519444	0.080*	0.580 (10)
C35	0.0939 (15)	1.1874 (11)	0.5852 (11)	0.070 (3)	0.580 (10)
H35A	0.170068	1.192476	0.517405	0.084*	0.580 (10)
H35B	0.038842	1.262827	0.590339	0.084*	0.580 (10)
C36	0.1386 (9)	1.1535 (6)	0.6757 (7)	0.048 (2)	0.580 (10)
H36A	0.083063	1.197446	0.735028	0.058*	0.580 (10)
H36B	0.231147	1.167099	0.655113	0.058*	0.580 (10)
O3	0.4576 (9)	0.9738 (10)	0.7301 (11)	0.064 (3)	0.580 (10)
C37	0.5584 (9)	0.9235 (8)	0.7750 (10)	0.052 (2)	0.580 (10)
H37A	0.554821	0.840762	0.798306	0.062*	0.580 (10)
H37B	0.548632	0.959973	0.837519	0.062*	0.580 (10)
C38	0.6847 (10)	0.9443 (13)	0.6858 (15)	0.054 (3)	0.580 (10)
H38A	0.709339	0.890827	0.632564	0.064*	0.580 (10)
H38B	0.758065	0.939665	0.712981	0.064*	0.580 (10)
C39	0.6450 (12)	1.0641 (13)	0.6404 (14)	0.083 (4)	0.580 (10)
H39A	0.665851	1.119781	0.674646	0.099*	0.580 (10)
H39B	0.692158	1.077560	0.561881	0.099*	0.580 (10)
C40	0.5005 (10)	1.0753 (9)	0.6639 (11)	0.085 (4)	0.580 (10)
H40A	0.455061	1.142220	0.701515	0.102*	0.580 (10)
H40B	0.481100	1.085039	0.596423	0.102*	0.580 (10)
O1'	0.175 (3)	0.9621 (17)	0.9309 (11)	0.070 (5)	0.420 (10)
C29'	0.189 (3)	1.0776 (16)	0.935 (2)	0.069 (5)	0.420 (10)
H29C	0.102784	1.126495	0.950671	0.082*	0.420 (10)
H29D	0.250127	1.110110	0.865464	0.082*	0.420 (10)
C30'	0.244 (3)	1.0705 (17)	1.024 (2)	0.052 (5)	0.420 (10)
H30C	0.179348	1.108779	1.083790	0.063*	0.420 (10)
H30D	0.325933	1.106869	0.996552	0.063*	0.420 (10)
C31'	0.274 (2)	0.9433 (18)	1.060 (2)	0.057 (4)	0.420 (10)
H31C	0.365653	0.912585	1.020016	0.068*	0.420 (10)
H31D	0.259401	0.927654	1.138054	0.068*	0.420 (10)
C32'	0.1756 (15)	0.8944 (14)	1.0333 (14)	0.062 (4)	0.420 (10)
H32C	0.204088	0.812590	1.025608	0.074*	0.420 (10)
H32D	0.087257	0.903202	1.089242	0.074*	0.420 (10)
O2'	0.1671 (12)	1.0333 (12)	0.6809 (13)	0.048 (3)	0.420 (10)
C33'	0.0325 (14)	1.0216 (12)	0.7146 (14)	0.076 (5)	0.420 (10)
H33C	−0.008186	1.020425	0.793360	0.091*	0.420 (10)
H33D	0.021911	0.949456	0.696160	0.091*	0.420 (10)
C34'	−0.0306 (11)	1.1190 (12)	0.6592 (15)	0.105 (5)	0.420 (10)
H34C	−0.085142	1.173757	0.709262	0.126*	0.420 (10)
H34D	−0.087266	1.093717	0.627793	0.126*	0.420 (10)
C35'	0.0807 (15)	1.1718 (15)	0.5731 (12)	0.056 (4)	0.420 (10)
H35C	0.103591	1.141360	0.504630	0.067*	0.420 (10)
H35D	0.059470	1.255785	0.560872	0.067*	0.420 (10)
C36'	0.1880 (12)	1.1376 (10)	0.6180 (11)	0.059 (3)	0.420 (10)
H36C	0.274542	1.131223	0.559597	0.071*	0.420 (10)
H36D	0.186672	1.194719	0.662003	0.071*	0.420 (10)
O3'	0.4465 (14)	0.9929 (17)	0.7010 (14)	0.066 (3)	0.420 (10)
C37'	0.5310 (18)	0.9564 (17)	0.7613 (14)	0.075 (4)	0.420 (10)
H37C	0.524437	0.875642	0.793156	0.090*	0.420 (10)
H37D	0.505095	1.002678	0.820509	0.090*	0.420 (10)
C38'	0.6698 (17)	0.969 (2)	0.689 (2)	0.079 (6)	0.420 (10)
H38C	0.719402	0.994028	0.727286	0.095*	0.420 (10)
H38D	0.716865	0.896676	0.661893	0.095*	0.420 (10)
C39'	0.6506 (19)	1.058 (2)	0.602 (2)	0.110 (8)	0.420 (10)
H39C	0.662653	1.133010	0.612767	0.132*	0.420 (10)
H39D	0.714592	1.039358	0.531503	0.132*	0.420 (10)
C40'	0.5145 (18)	1.0586 (18)	0.6062 (13)	0.113 (7)	0.420 (10)
H40C	0.469037	1.137818	0.603765	0.136*	0.420 (10)
H40D	0.515939	1.027109	0.543352	0.136*	0.420 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.0161 (2)	0.0284 (3)	0.0216 (2)	−0.00287 (19)	−0.00717 (19)	−0.00361 (19)
V2	0.0172 (2)	0.0220 (2)	0.0229 (2)	−0.00241 (18)	−0.00867 (19)	−0.00321 (18)
C1	0.0229 (15)	0.0382 (17)	0.0243 (15)	−0.0119 (12)	−0.0047 (12)	0.0023 (13)
C2	0.0202 (15)	0.0396 (18)	0.0358 (17)	−0.0089 (13)	−0.0080 (13)	−0.0046 (14)
C3	0.0246 (15)	0.0386 (17)	0.0328 (16)	−0.0070 (13)	−0.0166 (13)	−0.0058 (13)
C4	0.0242 (14)	0.0341 (16)	0.0220 (14)	−0.0067 (12)	−0.0084 (12)	−0.0051 (12)
C5	0.0200 (14)	0.0278 (15)	0.0260 (15)	−0.0013 (11)	−0.0068 (12)	−0.0073 (12)
C6	0.0189 (14)	0.0264 (15)	0.0400 (17)	0.0000 (11)	−0.0093 (13)	−0.0081 (13)
C7	0.0284 (16)	0.0263 (15)	0.0404 (18)	0.0003 (12)	−0.0216 (14)	−0.0006 (13)
C8	0.0265 (15)	0.0263 (15)	0.0246 (15)	−0.0029 (11)	−0.0101 (12)	0.0024 (12)
C9	0.0257 (14)	0.0239 (14)	0.0247 (15)	−0.0053 (11)	−0.0104 (12)	0.0029 (11)
C10	0.0241 (14)	0.0222 (14)	0.0220 (14)	−0.0038 (11)	−0.0081 (12)	−0.0062 (11)
C11	0.0244 (14)	0.0214 (13)	0.0257 (14)	−0.0071 (11)	−0.0081 (11)	−0.0018 (11)
C12	0.0219 (13)	0.0207 (13)	0.0249 (14)	−0.0047 (11)	−0.0095 (11)	−0.0047 (11)
C13	0.0187 (13)	0.0171 (13)	0.0254 (14)	−0.0019 (10)	−0.0061 (11)	−0.0056 (10)
C14	0.0239 (14)	0.0164 (13)	0.0278 (14)	−0.0047 (10)	−0.0120 (12)	0.0020 (11)
C15	0.0186 (14)	0.0374 (17)	0.0255 (15)	−0.0022 (12)	−0.0034 (12)	−0.0102 (13)
C16	0.0156 (14)	0.0367 (17)	0.0372 (17)	0.0010 (12)	−0.0076 (13)	−0.0093 (13)
C17	0.0246 (15)	0.0328 (16)	0.0361 (17)	0.0010 (12)	−0.0184 (14)	−0.0031 (13)
C18	0.0242 (15)	0.0321 (16)	0.0276 (16)	−0.0010 (12)	−0.0131 (13)	−0.0008 (13)
C19	0.0196 (13)	0.0245 (14)	0.0240 (14)	−0.0062 (11)	−0.0057 (12)	−0.0015 (11)
C20	0.0163 (14)	0.0301 (15)	0.0331 (16)	−0.0070 (12)	−0.0063 (12)	−0.0047 (12)
C21	0.0250 (14)	0.0318 (15)	0.0268 (15)	−0.0049 (12)	−0.0149 (12)	−0.0051 (12)
C22	0.0248 (14)	0.0287 (15)	0.0207 (14)	−0.0051 (11)	−0.0096 (12)	−0.0053 (11)
C23	0.0208 (14)	0.0286 (15)	0.0163 (13)	−0.0054 (11)	−0.0028 (11)	−0.0056 (11)
C24	0.0214 (13)	0.0232 (14)	0.0190 (14)	−0.0035 (11)	−0.0069 (11)	−0.0021 (11)
C25	0.0210 (13)	0.0224 (14)	0.0245 (14)	−0.0015 (11)	−0.0075 (11)	−0.0073 (11)
C26	0.0194 (13)	0.0186 (13)	0.0236 (13)	0.0001 (10)	−0.0075 (11)	−0.0031 (11)
C27	0.0193 (13)	0.0178 (13)	0.0229 (13)	−0.0048 (10)	−0.0068 (11)	−0.0029 (10)
C28	0.0235 (13)	0.0206 (13)	0.0228 (13)	−0.0044 (10)	−0.0105 (11)	−0.0060 (11)
Na1	0.0517 (8)	0.0255 (6)	0.0508 (8)	−0.0077 (5)	−0.0257 (6)	−0.0042 (5)
O1	0.122 (7)	0.026 (3)	0.053 (4)	0.000 (3)	−0.060 (4)	−0.004 (3)
C29	0.086 (6)	0.029 (4)	0.060 (7)	0.002 (4)	−0.036 (6)	−0.005 (4)
C30	0.055 (7)	0.041 (5)	0.072 (9)	−0.003 (4)	−0.020 (6)	−0.016 (5)
C31	0.055 (7)	0.049 (5)	0.050 (5)	−0.010 (4)	−0.020 (5)	−0.015 (4)
C32	0.079 (7)	0.032 (3)	0.041 (4)	−0.008 (4)	−0.037 (5)	0.002 (3)
O2	0.075 (6)	0.031 (3)	0.075 (7)	−0.020 (4)	−0.055 (6)	0.017 (4)
C33	0.077 (5)	0.056 (5)	0.090 (7)	−0.035 (4)	−0.054 (5)	0.009 (4)
C34	0.083 (6)	0.074 (5)	0.068 (5)	−0.041 (5)	−0.054 (5)	0.017 (4)
C35	0.123 (8)	0.044 (4)	0.072 (7)	−0.034 (5)	−0.064 (5)	0.011 (4)
C36	0.073 (6)	0.031 (3)	0.058 (5)	−0.014 (3)	−0.040 (4)	0.001 (4)
O3	0.037 (3)	0.033 (4)	0.125 (8)	−0.010 (3)	−0.040 (4)	0.012 (4)
C37	0.041 (4)	0.032 (4)	0.082 (6)	−0.003 (3)	−0.021 (3)	−0.009 (4)
C38	0.034 (4)	0.036 (4)	0.081 (6)	0.005 (3)	−0.008 (4)	−0.018 (4)
C39	0.055 (5)	0.045 (5)	0.144 (13)	−0.027 (4)	−0.033 (7)	0.015 (6)
C40	0.052 (4)	0.049 (4)	0.147 (10)	−0.018 (4)	−0.041 (6)	0.027 (6)
O1'	0.133 (11)	0.040 (7)	0.050 (6)	−0.019 (6)	−0.046 (6)	0.003 (5)
C29'	0.123 (13)	0.033 (6)	0.064 (9)	−0.004 (7)	−0.051 (9)	−0.009 (6)
C30'	0.075 (13)	0.028 (5)	0.056 (8)	−0.011 (6)	−0.024 (9)	−0.005 (5)
C31'	0.078 (13)	0.038 (6)	0.064 (7)	−0.010 (7)	−0.038 (9)	0.001 (5)
C32'	0.090 (10)	0.050 (7)	0.060 (7)	−0.019 (8)	−0.045 (8)	0.008 (5)
O2'	0.052 (5)	0.037 (4)	0.055 (6)	−0.010 (4)	−0.023 (5)	0.007 (3)
C33'	0.056 (6)	0.045 (6)	0.097 (10)	−0.002 (5)	−0.006 (7)	0.016 (6)
C34'	0.056 (6)	0.096 (9)	0.137 (12)	−0.004 (6)	−0.037 (8)	0.043 (9)
C35'	0.077 (7)	0.066 (9)	0.034 (5)	0.007 (6)	−0.037 (5)	−0.013 (5)
C36'	0.071 (7)	0.052 (6)	0.068 (8)	−0.031 (6)	−0.044 (6)	0.024 (6)
O3'	0.065 (6)	0.047 (7)	0.086 (7)	−0.013 (5)	−0.034 (4)	0.014 (5)
C37'	0.078 (8)	0.082 (11)	0.062 (6)	−0.007 (8)	−0.028 (6)	−0.002 (7)
C38'	0.063 (7)	0.087 (15)	0.089 (9)	−0.011 (8)	−0.020 (7)	−0.028 (9)
C39'	0.065 (7)	0.074 (10)	0.131 (14)	−0.002 (7)	0.009 (8)	0.032 (10)
C40'	0.093 (8)	0.112 (12)	0.099 (11)	−0.024 (8)	−0.020 (9)	0.052 (10)

Geometric parameters (Å, º)

V1—C17	2.184 (3)	Na1—O3'	2.269 (10)
V1—C3	2.192 (3)	Na1—O1	2.276 (8)
V1—C16	2.196 (3)	Na1—O3	2.279 (7)
V1—C2	2.206 (3)	Na1—O1'	2.294 (12)
V1—C18	2.213 (3)	Na1—O2	2.304 (7)
V1—C4	2.214 (3)	O1—C32	1.437 (9)
V1—C1	2.219 (3)	O1—C29	1.446 (10)
V1—C15	2.230 (3)	C29—C30	1.519 (11)
V1—C11	2.343 (3)	C29—H29A	0.9900
V1—C12	2.347 (3)	C29—H29B	0.9900
V1—C25	2.358 (2)	C30—C31	1.520 (10)
V1—C26	2.369 (2)	C30—H30A	0.9900
V2—C7	2.198 (3)	C30—H30B	0.9900
V2—C20	2.200 (3)	C31—C32	1.512 (9)
V2—C21	2.202 (3)	C31—H31A	0.9900
V2—C6	2.204 (3)	C31—H31B	0.9900
V2—C8	2.218 (3)	C32—H32A	0.9900
V2—C22	2.229 (3)	C32—H32B	0.9900
V2—C5	2.232 (3)	O2—C33	1.432 (10)
V2—C19	2.233 (3)	O2—C36	1.439 (9)
V2—C13	2.356 (2)	C33—C34	1.413 (9)
V2—C14	2.357 (2)	C33—H33A	0.9900
V2—C27	2.358 (2)	C33—H33B	0.9900
V2—C28	2.361 (2)	C34—C35	1.505 (10)
C1—C2	1.421 (4)	C34—H34A	0.9900
C1—C11	1.436 (4)	C34—H34B	0.9900
C1—H1	0.90 (2)	C35—C36	1.436 (10)
C2—C3	1.402 (4)	C35—H35A	0.9900
C2—H2	0.89 (3)	C35—H35B	0.9900
C3—C4	1.407 (4)	C36—H36A	0.9900
C3—H3	0.96 (3)	C36—H36B	0.9900
C4—C12	1.439 (3)	O3—C40	1.417 (9)
C4—H4	0.94 (3)	O3—C37	1.431 (8)
C5—C6	1.417 (4)	C37—C38	1.495 (10)
C5—C13	1.431 (3)	C37—H37A	0.9900
C5—H5	0.91 (3)	C37—H37B	0.9900
C6—C7	1.405 (4)	C38—C39	1.502 (12)
C6—H6	0.94 (3)	C38—H38A	0.9900
C7—C8	1.413 (4)	C38—H38B	0.9900
C7—H7	0.90 (3)	C39—C40	1.486 (9)
C8—C14	1.439 (4)	C39—H39A	0.9900
C8—H8	0.94 (2)	C39—H39B	0.9900
C9—C11	1.400 (3)	C40—H40A	0.9900
C9—C14	1.402 (4)	C40—H40B	0.9900
C9—H9	0.96 (3)	O1'—C29'	1.448 (12)
C10—C12	1.396 (3)	O1'—C32'	1.462 (12)
C10—C13	1.404 (3)	C29'—C30'	1.509 (13)
C10—H10	0.94 (3)	C29'—H29C	0.9900
C11—C12	1.465 (3)	C29'—H29D	0.9900
C13—C14	1.458 (3)	C30'—C31'	1.526 (12)
C15—C16	1.420 (4)	C30'—H30C	0.9900
C15—C25	1.428 (3)	C30'—H30D	0.9900
C15—H15	0.95 (3)	C31'—C32'	1.507 (12)
C16—C17	1.408 (4)	C31'—H31C	0.9900
C16—H16	0.93 (3)	C31'—H31D	0.9900
C17—C18	1.410 (4)	C32'—H32C	0.9900
C17—H17	0.95 (3)	C32'—H32D	0.9900
C18—C26	1.437 (4)	O2'—C36'	1.381 (10)
C18—H18	0.90 (3)	O2'—C33'	1.408 (12)
C19—C20	1.420 (4)	C33'—C34'	1.462 (12)
C19—C27	1.432 (3)	C33'—H33C	0.9900
C19—H19	0.99 (2)	C33'—H33D	0.9900
C20—C21	1.407 (4)	C34'—C35'	1.492 (14)
C20—H20	0.89 (3)	C34'—H34C	0.9900
C21—C22	1.421 (4)	C34'—H34D	0.9900
C21—H21	0.99 (3)	C35'—C36'	1.471 (12)
C22—C28	1.436 (3)	C35'—H35C	0.9900
C22—H22	0.94 (2)	C35'—H35D	0.9900
C23—C28	1.398 (3)	C36'—H36C	0.9900
C23—C25	1.410 (3)	C36'—H36D	0.9900
C23—Na1	2.872 (3)	O3'—C40'	1.398 (11)
C23—H23	0.91 (3)	O3'—C37'	1.405 (11)
C24—C26	1.400 (3)	C37'—C38'	1.496 (13)
C24—C27	1.417 (3)	C37'—H37C	0.9900
C24—Na1	2.848 (3)	C37'—H37D	0.9900
C24—H24	0.92 (2)	C38'—C39'	1.477 (15)
C25—C26	1.473 (3)	C38'—H38C	0.9900
C25—Na1	2.880 (3)	C38'—H38D	0.9900
C26—Na1	2.880 (3)	C39'—C40'	1.475 (13)
C27—C28	1.466 (3)	C39'—H39C	0.9900
C27—Na1	2.974 (3)	C39'—H39D	0.9900
C28—Na1	2.986 (3)	C40'—H40C	0.9900
Na1—O2'	2.227 (9)	C40'—H40D	0.9900
C17—V1—C3	101.19 (11)	C26—C24—H24	121.1 (15)
C17—V1—C16	37.48 (10)	C27—C24—H24	114.9 (15)
C3—V1—C16	113.51 (11)	Na1—C24—H24	120.2 (15)
C17—V1—C2	113.74 (11)	C23—C25—C15	123.9 (2)
C3—V1—C2	37.19 (10)	C23—C25—C26	117.9 (2)
C16—V1—C2	101.40 (11)	C15—C25—C26	118.2 (2)
C17—V1—C18	37.40 (10)	C23—C25—V1	130.64 (18)
C3—V1—C18	113.62 (11)	C15—C25—V1	67.03 (14)
C16—V1—C18	67.27 (11)	C26—C25—V1	72.26 (14)
C2—V1—C18	143.85 (11)	C23—C25—Na1	75.48 (15)
C17—V1—C4	113.30 (11)	C15—C25—Na1	121.37 (18)
C3—V1—C4	37.25 (10)	C26—C25—Na1	75.19 (14)
C16—V1—C4	143.51 (10)	V1—C25—Na1	145.53 (11)
C2—V1—C4	66.89 (11)	C24—C26—C18	124.2 (2)
C18—V1—C4	101.11 (11)	C24—C26—C25	118.1 (2)
C17—V1—C1	144.04 (11)	C18—C26—C25	117.6 (2)
C3—V1—C1	67.16 (11)	C24—C26—V1	132.04 (18)
C16—V1—C1	113.74 (11)	C18—C26—V1	65.89 (15)
C2—V1—C1	37.47 (10)	C25—C26—V1	71.44 (14)
C18—V1—C1	178.49 (10)	C24—C26—Na1	74.60 (14)
C4—V1—C1	78.74 (11)	C18—C26—Na1	123.10 (17)
C17—V1—C15	67.13 (11)	C25—C26—Na1	75.18 (14)
C3—V1—C15	143.93 (10)	V1—C26—Na1	144.75 (11)
C16—V1—C15	37.42 (10)	C24—C27—C19	123.6 (2)
C2—V1—C15	114.05 (11)	C24—C27—C28	117.7 (2)
C18—V1—C15	78.56 (11)	C19—C27—C28	118.6 (2)
C4—V1—C15	178.81 (10)	C24—C27—V2	130.64 (17)
C1—V1—C15	101.56 (11)	C19—C27—V2	67.11 (14)
C17—V1—C11	179.20 (10)	C28—C27—V2	72.01 (14)
C3—V1—C11	78.54 (10)	C24—C27—Na1	71.05 (14)
C16—V1—C11	143.32 (10)	C19—C27—Na1	125.63 (16)
C2—V1—C11	66.50 (10)	C28—C27—Na1	76.24 (14)
C18—V1—C11	142.02 (10)	V2—C27—Na1	147.57 (10)
C4—V1—C11	66.04 (10)	C23—C28—C22	123.5 (2)
C1—V1—C11	36.55 (9)	C23—C28—C27	118.5 (2)
C15—V1—C11	113.53 (10)	C22—C28—C27	117.9 (2)
C17—V1—C12	142.79 (10)	C23—C28—V2	131.10 (18)
C3—V1—C12	66.48 (9)	C22—C28—V2	66.82 (14)
C16—V1—C12	179.71 (11)	C27—C28—V2	71.80 (14)
C2—V1—C12	78.42 (10)	C23—C28—Na1	71.68 (15)
C18—V1—C12	113.01 (10)	C22—C28—Na1	126.07 (17)
C4—V1—C12	36.63 (9)	C27—C28—Na1	75.29 (14)
C1—V1—C12	65.98 (10)	V2—C28—Na1	146.44 (11)
C15—V1—C12	142.45 (9)	O2'—Na1—O3'	87.8 (5)
C11—V1—C12	36.40 (9)	O1—Na1—O3	87.6 (6)
C17—V1—C25	78.40 (10)	O2'—Na1—O1'	95.3 (7)
C3—V1—C25	179.52 (10)	O3'—Na1—O1'	98.1 (9)
C16—V1—C25	66.30 (9)	O1—Na1—O2	92.8 (5)
C2—V1—C25	143.20 (10)	O3—Na1—O2	106.1 (4)
C18—V1—C25	65.90 (10)	O2'—Na1—C24	105.2 (5)
C4—V1—C25	142.70 (9)	O3'—Na1—C24	102.1 (6)
C1—V1—C25	113.31 (10)	O1—Na1—C24	149.4 (4)
C15—V1—C25	36.13 (9)	O3—Na1—C24	103.7 (4)
C11—V1—C25	101.87 (9)	O1'—Na1—C24	151.5 (5)
C12—V1—C25	113.71 (9)	O2—Na1—C24	110.5 (3)
C17—V1—C26	66.21 (9)	O2'—Na1—C23	136.9 (4)
C3—V1—C26	143.31 (10)	O3'—Na1—C23	132.6 (5)
C16—V1—C26	78.23 (10)	O1—Na1—C23	91.5 (4)
C2—V1—C26	179.47 (10)	O3—Na1—C23	123.4 (3)
C18—V1—C26	36.36 (9)	O1'—Na1—C23	93.1 (5)
C4—V1—C26	113.63 (9)	O2—Na1—C23	130.4 (2)
C1—V1—C26	142.33 (10)	C24—Na1—C23	58.45 (8)
C15—V1—C26	65.43 (9)	O2'—Na1—C25	109.0 (4)
C11—V1—C26	113.56 (9)	O3'—Na1—C25	150.6 (6)
C12—V1—C26	101.94 (8)	O1—Na1—C25	105.5 (4)
C25—V1—C26	36.30 (8)	O3—Na1—C25	146.3 (3)
C7—V2—C20	113.99 (10)	O1'—Na1—C25	103.9 (6)
C7—V2—C21	101.29 (11)	O2—Na1—C25	104.2 (3)
C20—V2—C21	37.26 (10)	C24—Na1—C25	50.95 (7)
C7—V2—C6	37.21 (10)	C23—Na1—C25	28.39 (7)
C20—V2—C6	102.62 (11)	O2'—Na1—C26	94.7 (5)
C21—V2—C6	114.53 (10)	O3'—Na1—C26	128.7 (6)
C7—V2—C8	37.33 (10)	O1—Na1—C26	134.8 (5)
C20—V2—C8	143.26 (10)	O3—Na1—C26	131.8 (4)
C21—V2—C8	112.67 (10)	O1'—Na1—C26	132.3 (6)
C6—V2—C8	66.99 (10)	O2—Na1—C26	95.2 (3)
C7—V2—C22	113.33 (11)	C24—Na1—C26	28.28 (7)
C20—V2—C22	67.03 (10)	C23—Na1—C26	50.87 (7)
C21—V2—C22	37.39 (9)	C25—Na1—C26	29.62 (7)
C6—V2—C22	144.19 (10)	O2'—Na1—C27	131.4 (5)
C8—V2—C22	100.11 (10)	O3'—Na1—C27	91.7 (6)
C7—V2—C5	66.90 (10)	O1—Na1—C27	127.5 (3)
C20—V2—C5	115.35 (10)	O3—Na1—C27	88.2 (4)
C21—V2—C5	145.16 (10)	O1'—Na1—C27	132.7 (5)
C6—V2—C5	37.25 (10)	O2—Na1—C27	138.2 (3)
C8—V2—C5	78.54 (11)	C24—Na1—C27	28.07 (7)
C22—V2—C5	177.43 (10)	C23—Na1—C27	49.79 (7)
C7—V2—C19	144.41 (10)	C25—Na1—C27	59.02 (7)
C20—V2—C19	37.35 (9)	C26—Na1—C27	50.17 (7)
C21—V2—C19	67.01 (10)	O2'—Na1—C28	153.3 (5)
C6—V2—C19	114.87 (10)	O3'—Na1—C28	105.6 (5)
C8—V2—C19	178.12 (10)	O1—Na1—C28	100.9 (3)
C22—V2—C19	78.52 (10)	O3—Na1—C28	97.7 (3)
C5—V2—C19	102.78 (10)	O1'—Na1—C28	105.2 (5)
C7—V2—C13	78.01 (10)	O2—Na1—C28	153.0 (3)
C20—V2—C13	144.68 (10)	C24—Na1—C28	49.97 (7)
C21—V2—C13	178.05 (9)	C23—Na1—C28	27.53 (7)
C6—V2—C13	66.00 (9)	C25—Na1—C28	49.89 (7)
C8—V2—C13	65.67 (9)	C26—Na1—C28	58.76 (7)
C22—V2—C13	141.22 (9)	C27—Na1—C28	28.48 (7)
C5—V2—C13	36.22 (9)	C32—O1—C29	106.8 (7)
C19—V2—C13	114.61 (9)	C32—O1—Na1	118.8 (8)
C7—V2—C14	66.20 (9)	C29—O1—Na1	128.5 (10)
C20—V2—C14	179.19 (10)	O1—C29—C30	103.5 (10)
C21—V2—C14	142.01 (10)	O1—C29—H29A	111.1
C6—V2—C14	78.01 (10)	C30—C29—H29A	111.1
C8—V2—C14	36.50 (9)	O1—C29—H29B	111.1
C22—V2—C14	112.16 (9)	C30—C29—H29B	111.1
C5—V2—C14	65.46 (9)	H29A—C29—H29B	109.0
C19—V2—C14	142.84 (9)	C29—C30—C31	105.9 (8)
C13—V2—C14	36.04 (8)	C29—C30—H30A	110.6
C7—V2—C27	178.84 (10)	C31—C30—H30A	110.6
C20—V2—C27	66.07 (9)	C29—C30—H30B	110.6
C21—V2—C27	78.06 (9)	C31—C30—H30B	110.6
C6—V2—C27	143.93 (10)	H30A—C30—H30B	108.7
C8—V2—C27	142.02 (9)	C32—C31—C30	104.3 (7)
C22—V2—C27	65.57 (9)	C32—C31—H31A	110.9
C5—V2—C27	114.18 (9)	C30—C31—H31A	110.9
C19—V2—C27	36.21 (8)	C32—C31—H31B	110.9
C13—V2—C27	102.61 (9)	C30—C31—H31B	110.9
C14—V2—C27	113.72 (9)	H31A—C31—H31B	108.9
C7—V2—C28	142.67 (10)	O1—C32—C31	106.5 (8)
C20—V2—C28	78.17 (9)	O1—C32—H32A	110.4
C21—V2—C28	66.23 (9)	C31—C32—H32A	110.4
C6—V2—C28	179.18 (9)	O1—C32—H32B	110.4
C8—V2—C28	112.52 (10)	C31—C32—H32B	110.4
C22—V2—C28	36.32 (9)	H32A—C32—H32B	108.6
C5—V2—C28	142.21 (9)	C33—O2—C36	105.3 (6)
C19—V2—C28	65.62 (9)	C33—O2—Na1	125.4 (7)
C13—V2—C28	113.23 (8)	C36—O2—Na1	128.1 (6)
C14—V2—C28	101.20 (9)	C34—C33—O2	109.9 (7)
C27—V2—C28	36.19 (8)	C34—C33—H33A	109.7
C2—C1—C11	121.9 (3)	O2—C33—H33A	109.7
C2—C1—V1	70.77 (16)	C34—C33—H33B	109.7
C11—C1—V1	76.42 (15)	O2—C33—H33B	109.7
C2—C1—H1	120.6 (16)	H33A—C33—H33B	108.2
C11—C1—H1	117.5 (16)	C33—C34—C35	104.7 (6)
V1—C1—H1	127.5 (16)	C33—C34—H34A	110.8
C3—C2—C1	119.6 (3)	C35—C34—H34A	110.8
C3—C2—V1	70.85 (16)	C33—C34—H34B	110.8
C1—C2—V1	71.77 (16)	C35—C34—H34B	110.8
C3—C2—H2	123.5 (19)	H34A—C34—H34B	108.9
C1—C2—H2	116.2 (19)	C36—C35—C34	106.8 (7)
V1—C2—H2	120.6 (19)	C36—C35—H35A	110.4
C2—C3—C4	120.2 (3)	C34—C35—H35A	110.4
C2—C3—V1	71.96 (16)	C36—C35—H35B	110.4
C4—C3—V1	72.24 (15)	C34—C35—H35B	110.4
C2—C3—H3	119.1 (16)	H35A—C35—H35B	108.6
C4—C3—H3	120.6 (16)	C35—C36—O2	106.6 (7)
V1—C3—H3	125.4 (15)	C35—C36—H36A	110.4
C3—C4—C12	122.2 (2)	O2—C36—H36A	110.4
C3—C4—V1	70.51 (16)	C35—C36—H36B	110.4
C12—C4—V1	76.73 (15)	O2—C36—H36B	110.4
C3—C4—H4	119.7 (16)	H36A—C36—H36B	108.6
C12—C4—H4	118.2 (16)	C40—O3—C37	106.0 (6)
V1—C4—H4	124.3 (16)	C40—O3—Na1	131.2 (6)
C6—C5—C13	121.7 (3)	C37—O3—Na1	122.8 (6)
C6—C5—V2	70.32 (15)	O3—C37—C38	104.6 (8)
C13—C5—V2	76.61 (15)	O3—C37—H37A	110.8
C6—C5—H5	117.0 (17)	C38—C37—H37A	110.8
C13—C5—H5	121.3 (17)	O3—C37—H37B	110.8
V2—C5—H5	127.7 (17)	C38—C37—H37B	110.8
C7—C6—C5	119.9 (3)	H37A—C37—H37B	108.9
C7—C6—V2	71.15 (16)	C37—C38—C39	99.6 (8)
C5—C6—V2	72.44 (15)	C37—C38—H38A	111.9
C7—C6—H6	123.0 (17)	C39—C38—H38A	111.9
C5—C6—H6	116.6 (17)	C37—C38—H38B	111.9
V2—C6—H6	121.2 (16)	C39—C38—H38B	111.9
C6—C7—C8	120.0 (3)	H38A—C38—H38B	109.6
C6—C7—V2	71.64 (16)	C40—C39—C38	105.9 (7)
C8—C7—V2	72.10 (15)	C40—C39—H39A	110.5
C6—C7—H7	118.5 (17)	C38—C39—H39A	110.5
C8—C7—H7	121.4 (17)	C40—C39—H39B	110.5
V2—C7—H7	124.4 (17)	C38—C39—H39B	110.5
C7—C8—C14	121.7 (3)	H39A—C39—H39B	108.7
C7—C8—V2	70.57 (16)	O3—C40—C39	106.8 (7)
C14—C8—V2	77.04 (15)	O3—C40—H40A	110.4
C7—C8—H8	121.7 (15)	C39—C40—H40A	110.4
C14—C8—H8	116.5 (15)	O3—C40—H40B	110.4
V2—C8—H8	127.5 (15)	C39—C40—H40B	110.4
C11—C9—C14	123.2 (2)	H40A—C40—H40B	108.6
C11—C9—H9	121.7 (17)	C29'—O1'—C32'	107.4 (11)
C14—C9—H9	115.1 (16)	C29'—O1'—Na1	117.7 (17)
C12—C10—C13	123.1 (2)	C32'—O1'—Na1	123.8 (13)
C12—C10—H10	119.5 (17)	O1'—C29'—C30'	106.4 (11)
C13—C10—H10	117.3 (17)	O1'—C29'—H29C	110.5
C9—C11—C1	123.2 (2)	C30'—C29'—H29C	110.5
C9—C11—C12	118.5 (2)	O1'—C29'—H29D	110.5
C1—C11—C12	118.2 (2)	C30'—C29'—H29D	110.5
C9—C11—V1	128.81 (18)	H29C—C29'—H29D	108.6
C1—C11—V1	67.02 (15)	C29'—C30'—C31'	105.4 (11)
C12—C11—V1	71.95 (14)	C29'—C30'—H30C	110.7
C10—C12—C4	123.8 (2)	C31'—C30'—H30C	110.7
C10—C12—C11	118.3 (2)	C29'—C30'—H30D	110.7
C4—C12—C11	117.7 (2)	C31'—C30'—H30D	110.7
C10—C12—V1	129.74 (18)	H30C—C30'—H30D	108.8
C4—C12—V1	66.64 (14)	C32'—C31'—C30'	102.0 (10)
C11—C12—V1	71.64 (14)	C32'—C31'—H31C	111.4
C10—C13—C5	122.8 (2)	C30'—C31'—H31C	111.4
C10—C13—C14	118.6 (2)	C32'—C31'—H31D	111.4
C5—C13—C14	118.5 (2)	C30'—C31'—H31D	111.4
C10—C13—V2	129.85 (17)	H31C—C31'—H31D	109.2
C5—C13—V2	67.16 (14)	O1'—C32'—C31'	103.3 (12)
C14—C13—V2	72.04 (14)	O1'—C32'—H32C	111.1
C9—C14—C8	123.5 (2)	C31'—C32'—H32C	111.1
C9—C14—C13	118.3 (2)	O1'—C32'—H32D	111.1
C8—C14—C13	117.9 (2)	C31'—C32'—H32D	111.1
C9—C14—V2	129.16 (18)	H32C—C32'—H32D	109.1
C8—C14—V2	66.46 (14)	C36'—O2'—C33'	109.2 (9)
C13—C14—V2	71.91 (13)	C36'—O2'—Na1	139.1 (9)
C16—C15—C25	122.3 (3)	C33'—O2'—Na1	110.4 (8)
C16—C15—V1	70.01 (16)	O2'—C33'—C34'	107.4 (9)
C25—C15—V1	76.84 (15)	O2'—C33'—H33C	110.2
C16—C15—H15	116.7 (17)	C34'—C33'—H33C	110.2
C25—C15—H15	121.0 (17)	O2'—C33'—H33D	110.2
V1—C15—H15	126.2 (17)	C34'—C33'—H33D	110.2
C17—C16—C15	119.4 (2)	H33C—C33'—H33D	108.5
C17—C16—V1	70.80 (16)	C33'—C34'—C35'	104.9 (9)
C15—C16—V1	72.57 (16)	C33'—C34'—H34C	110.8
C17—C16—H16	121.3 (16)	C35'—C34'—H34C	110.8
C15—C16—H16	119.2 (16)	C33'—C34'—H34D	110.8
V1—C16—H16	125.4 (16)	C35'—C34'—H34D	110.8
C16—C17—C18	120.2 (3)	H34C—C34'—H34D	108.8
C16—C17—V1	71.72 (16)	C36'—C35'—C34'	102.2 (9)
C18—C17—V1	72.40 (16)	C36'—C35'—H35C	111.3
C16—C17—H17	118.7 (15)	C34'—C35'—H35C	111.3
C18—C17—H17	120.9 (15)	C36'—C35'—H35D	111.3
V1—C17—H17	124.1 (15)	C34'—C35'—H35D	111.3
C17—C18—C26	122.1 (3)	H35C—C35'—H35D	109.2
C17—C18—V1	70.20 (16)	O2'—C36'—C35'	106.8 (9)
C26—C18—V1	77.75 (15)	O2'—C36'—H36C	110.4
C17—C18—H18	117.2 (18)	C35'—C36'—H36C	110.4
C26—C18—H18	120.7 (19)	O2'—C36'—H36D	110.4
V1—C18—H18	125.0 (18)	C35'—C36'—H36D	110.4
C20—C19—C27	121.5 (2)	H36C—C36'—H36D	108.6
C20—C19—V2	70.09 (15)	C40'—O3'—C37'	107.5 (10)
C27—C19—V2	76.67 (14)	C40'—O3'—Na1	139.8 (12)
C20—C19—H19	118.2 (14)	C37'—O3'—Na1	110.5 (10)
C27—C19—H19	120.2 (14)	O3'—C37'—C38'	109.2 (11)
V2—C19—H19	127.2 (14)	O3'—C37'—Na1	44.0 (7)
C21—C20—C19	120.1 (2)	C38'—C37'—Na1	143.1 (15)
C21—C20—V2	71.44 (15)	O3'—C37'—H37C	109.8
C19—C20—V2	72.56 (15)	C38'—C37'—H37C	109.8
C21—C20—H20	122.1 (17)	Na1—C37'—H37C	70.8
C19—C20—H20	117.9 (17)	O3'—C37'—H37D	109.8
V2—C20—H20	127.0 (17)	C38'—C37'—H37D	109.8
C20—C21—C22	119.8 (2)	Na1—C37'—H37D	104.3
C20—C21—V2	71.30 (15)	H37C—C37'—H37D	108.3
C22—C21—V2	72.32 (15)	C39'—C38'—C37'	102.4 (10)
C20—C21—H21	122.0 (16)	C39'—C38'—H38C	111.3
C22—C21—H21	118.0 (16)	C37'—C38'—H38C	111.3
V2—C21—H21	123.5 (16)	C39'—C38'—H38D	111.3
C21—C22—C28	121.8 (2)	C37'—C38'—H38D	111.3
C21—C22—V2	70.29 (15)	H38C—C38'—H38D	109.2
C28—C22—V2	76.86 (14)	C40'—C39'—C38'	105.9 (11)
C21—C22—H22	118.5 (16)	C40'—C39'—H39C	110.6
C28—C22—H22	119.6 (16)	C38'—C39'—H39C	110.6
V2—C22—H22	126.7 (16)	C40'—C39'—H39D	110.6
C28—C23—C25	123.6 (2)	C38'—C39'—H39D	110.6
C28—C23—Na1	80.78 (15)	H39C—C39'—H39D	108.7
C25—C23—Na1	76.13 (15)	O3'—C40'—C39'	109.6 (11)
C28—C23—H23	120.1 (18)	O3'—C40'—H40C	109.8
C25—C23—H23	115.8 (18)	C39'—C40'—H40C	109.8
Na1—C23—H23	122.0 (18)	O3'—C40'—H40D	109.8
C26—C24—C27	123.6 (2)	C39'—C40'—H40D	109.8
C26—C24—Na1	77.11 (15)	H40C—C40'—H40D	108.2
C27—C24—Na1	80.88 (15)
C11—C1—C2—C3	−5.1 (4)	V1—C18—C26—C24	125.7 (2)
V1—C1—C2—C3	54.3 (3)	C17—C18—C26—C25	5.8 (4)
C11—C1—C2—V1	−59.4 (2)	V1—C18—C26—C25	−51.1 (2)
C1—C2—C3—C4	1.2 (4)	C17—C18—C26—V1	56.9 (2)
V1—C2—C3—C4	55.9 (2)	C17—C18—C26—Na1	−84.0 (3)
C1—C2—C3—V1	−54.7 (3)	V1—C18—C26—Na1	−140.92 (15)
C2—C3—C4—C12	3.6 (4)	C23—C25—C26—C24	−1.2 (3)
V1—C3—C4—C12	59.3 (2)	C15—C25—C26—C24	−178.9 (2)
C2—C3—C4—V1	−55.7 (2)	V1—C25—C26—C24	−128.4 (2)
C13—C5—C6—C7	−4.3 (4)	Na1—C25—C26—C24	63.1 (2)
V2—C5—C6—C7	55.1 (2)	C23—C25—C26—C18	175.7 (2)
C13—C5—C6—V2	−59.4 (2)	C15—C25—C26—C18	−2.0 (4)
C5—C6—C7—C8	−0.1 (4)	V1—C25—C26—C18	48.6 (2)
V2—C6—C7—C8	55.6 (2)	Na1—C25—C26—C18	−119.9 (2)
C5—C6—C7—V2	−55.7 (2)	C23—C25—C26—V1	127.2 (2)
C6—C7—C8—C14	4.8 (4)	C15—C25—C26—V1	−50.5 (2)
V2—C7—C8—C14	60.2 (2)	Na1—C25—C26—V1	−168.50 (8)
C6—C7—C8—V2	−55.4 (2)	C23—C25—C26—Na1	−64.3 (2)
C14—C9—C11—C1	−175.4 (2)	C15—C25—C26—Na1	118.0 (2)
C14—C9—C11—C12	−0.5 (4)	V1—C25—C26—Na1	168.50 (8)
C14—C9—C11—V1	−89.6 (3)	C26—C24—C27—C19	171.5 (2)
C2—C1—C11—C9	179.1 (3)	Na1—C24—C27—C19	−120.8 (2)
V1—C1—C11—C9	122.4 (2)	C26—C24—C27—C28	−5.5 (4)
C2—C1—C11—C12	4.2 (4)	Na1—C24—C27—C28	62.3 (2)
V1—C1—C11—C12	−52.5 (2)	C26—C24—C27—V2	84.0 (3)
C2—C1—C11—V1	56.7 (2)	Na1—C24—C27—V2	151.81 (19)
C13—C10—C12—C4	174.0 (2)	C26—C24—C27—Na1	−67.8 (2)
C13—C10—C12—C11	−1.4 (4)	C20—C19—C27—C24	179.1 (2)
C13—C10—C12—V1	87.7 (3)	V2—C19—C27—C24	−124.6 (2)
C3—C4—C12—C10	−179.7 (2)	C20—C19—C27—C28	−4.0 (4)
V1—C4—C12—C10	−123.3 (2)	V2—C19—C27—C28	52.3 (2)
C3—C4—C12—C11	−4.3 (4)	C20—C19—C27—V2	−56.2 (2)
V1—C4—C12—C11	52.1 (2)	C20—C19—C27—Na1	89.3 (3)
C3—C4—C12—V1	−56.4 (2)	V2—C19—C27—Na1	145.55 (16)
C9—C11—C12—C10	0.9 (4)	C25—C23—C28—C22	−171.9 (2)
C1—C11—C12—C10	176.1 (2)	Na1—C23—C28—C22	121.6 (2)
V1—C11—C12—C10	125.9 (2)	C25—C23—C28—C27	5.4 (4)
C9—C11—C12—C4	−174.7 (2)	Na1—C23—C28—C27	−61.0 (2)
C1—C11—C12—C4	0.4 (4)	C25—C23—C28—V2	−84.7 (3)
V1—C11—C12—C4	−49.7 (2)	Na1—C23—C28—V2	−151.17 (19)
C9—C11—C12—V1	−125.0 (2)	C25—C23—C28—Na1	66.4 (2)
C1—C11—C12—V1	50.2 (2)	C21—C22—C28—C23	−178.5 (2)
C12—C10—C13—C5	−174.9 (2)	V2—C22—C28—C23	125.0 (2)
C12—C10—C13—C14	1.3 (4)	C21—C22—C28—C27	4.1 (4)
C12—C10—C13—V2	−88.5 (3)	V2—C22—C28—C27	−52.3 (2)
C6—C5—C13—C10	−179.8 (2)	C21—C22—C28—V2	56.4 (2)
V2—C5—C13—C10	123.8 (2)	C21—C22—C28—Na1	−87.6 (3)
C6—C5—C13—C14	4.0 (4)	V2—C22—C28—Na1	−144.06 (16)
V2—C5—C13—C14	−52.4 (2)	C24—C27—C28—C23	−0.4 (3)
C6—C5—C13—V2	56.4 (2)	C19—C27—C28—C23	−177.5 (2)
C11—C9—C14—C8	175.1 (2)	V2—C27—C28—C23	−127.5 (2)
C11—C9—C14—C13	0.5 (4)	Na1—C27—C28—C23	59.2 (2)
C11—C9—C14—V2	89.6 (3)	C24—C27—C28—C22	177.1 (2)
C7—C8—C14—C9	−179.6 (2)	C19—C27—C28—C22	0.0 (3)
V2—C8—C14—C9	−122.5 (2)	V2—C27—C28—C22	50.0 (2)
C7—C8—C14—C13	−5.0 (4)	Na1—C27—C28—C22	−123.4 (2)
V2—C8—C14—C13	52.1 (2)	C24—C27—C28—V2	127.1 (2)
C7—C8—C14—V2	−57.1 (2)	C19—C27—C28—V2	−50.0 (2)
C10—C13—C14—C9	−0.8 (3)	Na1—C27—C28—V2	−173.33 (8)
C5—C13—C14—C9	175.5 (2)	C24—C27—C28—Na1	−59.6 (2)
V2—C13—C14—C9	125.4 (2)	C19—C27—C28—Na1	123.3 (2)
C10—C13—C14—C8	−175.7 (2)	V2—C27—C28—Na1	173.33 (8)
C5—C13—C14—C8	0.6 (3)	C32—O1—C29—C30	36.9 (17)
V2—C13—C14—C8	−49.5 (2)	Na1—O1—C29—C30	−115.0 (15)
C10—C13—C14—V2	−126.2 (2)	O1—C29—C30—C31	−26 (2)
C5—C13—C14—V2	50.2 (2)	C29—C30—C31—C32	7 (2)
C25—C15—C16—C17	3.8 (4)	C29—O1—C32—C31	−33.2 (15)
V1—C15—C16—C17	−55.1 (2)	Na1—O1—C32—C31	121.9 (12)
C25—C15—C16—V1	58.9 (2)	C30—C31—C32—O1	15.4 (17)
C15—C16—C17—C18	0.0 (4)	C36—O2—C33—C34	24.1 (13)
V1—C16—C17—C18	−55.9 (2)	Na1—O2—C33—C34	−144.1 (9)
C15—C16—C17—V1	56.0 (2)	O2—C33—C34—C35	−12.1 (14)
C16—C17—C18—C26	−4.9 (4)	C33—C34—C35—C36	−4.4 (15)
V1—C17—C18—C26	−60.5 (2)	C34—C35—C36—O2	19.0 (14)
C16—C17—C18—V1	55.6 (2)	C33—O2—C36—C35	−26.2 (13)
C27—C19—C20—C21	3.9 (4)	Na1—O2—C36—C35	141.6 (11)
V2—C19—C20—C21	−55.4 (2)	C40—O3—C37—C38	−38.4 (14)
C27—C19—C20—V2	59.3 (2)	Na1—O3—C37—C38	142.2 (12)
C19—C20—C21—C22	0.3 (4)	O3—C37—C38—C39	40.6 (15)
V2—C20—C21—C22	−55.7 (2)	C37—C38—C39—C40	−28.4 (17)
C19—C20—C21—V2	56.0 (2)	C37—O3—C40—C39	19.3 (16)
C20—C21—C22—C28	−4.3 (4)	Na1—O3—C40—C39	−161.4 (12)
V2—C21—C22—C28	−59.5 (2)	C38—C39—C40—O3	6.8 (18)
C20—C21—C22—V2	55.2 (2)	C32'—O1'—C29'—C30'	19 (3)
C28—C23—C25—C15	173.0 (2)	Na1—O1'—C29'—C30'	−127 (2)
Na1—C23—C25—C15	−118.3 (3)	O1'—C29'—C30'—C31'	6 (3)
C28—C23—C25—C26	−4.6 (4)	C29'—C30'—C31'—C32'	−27 (3)
Na1—C23—C25—C26	64.2 (2)	C29'—O1'—C32'—C31'	−37 (2)
C28—C23—C25—V1	85.4 (3)	Na1—O1'—C32'—C31'	106.3 (19)
Na1—C23—C25—V1	154.2 (2)	C30'—C31'—C32'—O1'	39 (2)
C28—C23—C25—Na1	−68.7 (2)	C36'—O2'—C33'—C34'	7 (2)
C16—C15—C25—C23	179.7 (3)	Na1—O2'—C33'—C34'	176.4 (12)
V1—C15—C25—C23	−124.6 (2)	O2'—C33'—C34'—C35'	13 (2)
C16—C15—C25—C26	−2.8 (4)	C33'—C34'—C35'—C36'	−26.2 (18)
V1—C15—C25—C26	53.0 (2)	C33'—O2'—C36'—C35'	−24.2 (19)
C16—C15—C25—V1	−55.7 (2)	Na1—O2'—C36'—C35'	170.6 (17)
C16—C15—C25—Na1	86.5 (3)	C34'—C35'—C36'—O2'	31.0 (17)
V1—C15—C25—Na1	142.22 (15)	C40'—O3'—C37'—C38'	−18 (3)
C27—C24—C26—C18	−170.5 (2)	Na1—O3'—C37'—C38'	149.2 (16)
Na1—C24—C26—C18	119.8 (2)	C40'—O3'—C37'—Na1	−167 (3)
C27—C24—C26—C25	6.3 (4)	O3'—C37'—C38'—C39'	24 (3)
Na1—C24—C26—C25	−63.4 (2)	Na1—C37'—C38'—C39'	60 (3)
C27—C24—C26—V1	−83.5 (3)	C37'—C38'—C39'—C40'	−20 (3)
Na1—C24—C26—V1	−153.2 (2)	C37'—O3'—C40'—C39'	4 (3)
C27—C24—C26—Na1	69.7 (2)	Na1—O3'—C40'—C39'	−157 (2)
C17—C18—C26—C24	−177.4 (3)	C38'—C39'—C40'—O3'	11 (3)