Tantalum isocyanide complexes: TaI(CNDipp)₆ (Dipp is 2,6-diiso­propyl­phen­yl) and ionic [Ta(CNDipp)₇][Ta(CNDipp)₆], a formal disproportionation product of the 17-electron Ta⁰ metalloradical Ta(CNDipp)₆

Treatment of tetra­ethyl­ammonium hexa­carbonyl­tantalate, [Et₄N][Ta(CO)₆], with 1.1 equivalents of mol­ecular iodine (I₂) in tetra­hydro­furan (THF) at 200 K, followed by the addition of 6.0 equivalents of 2,6-diiso­propyl­phenyl isocyanide (CNDipp) and slow warming to 293 K over a 24 h period gave the tantalum(I) iodide derivative hexa­kis­(2,6-diiso­propyl­phenyl isocyanide-κC)iodido­tan­ta­lum(I), [TaI(C₁₃H₁₇N)₆] or TaI(CNDipp)₆, 1. Recrystallization of this substance from pentane provided deep-red nearly black parallelepipeds of the product, which was characterized by single-crystal X-ray diffraction. Addition of 1 in THF at 200 K to a suspension of an excess (5.8 equivalents) of caesium graphite (CsC₈), followed by warming, filtration, and solvent removal, afforded a dark-green oily solid of unknown composition, from which several red–brown rhombohedral plates of the ditantalum salt hepta­kis­(2,6-diiso­propyl­phenyl isocyanide-κC)tantalum hexa­kis­(2,6-diiso­propyl­phenyl isocyanide-κC)tantalate, [Ta(C₁₃H₁₇N)₇][Ta(C₁₃H₁₇N)₆] or [Ta(CNDipp)₇][Ta(CNDipp)₆], 2, were har­vested. Salt 2 is a unique substance, as it is the only known example of a salt containing a homoleptic cation, [ML_x]⁺, and a homoleptic anion, [ML_y]⁻, with the same transition metal and π-acceptor ligand L. In solution, 2 undergoes full com­pro­portionation to afford the recently reported 17-electron paramagnetic zero­valent tantalum complex Ta(CNDipp)₆, the only known isolable TaL₆ complex of Ta⁰.

Computing details

For both structures, data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Hexakis(2,6-diisopropylphenyl isocyanide-κC)iodidotantalum(I) (1)

Crystal data

[TaI(C13H17N)6]	F(000) = 2952
Mr = 1431.50	Dx = 1.302 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 12.192 (3) Å	Cell parameters from 3295 reflections
b = 43.57 (1) Å	θ = 2.4–23.4°
c = 13.981 (4) Å	µ = 1.97 mm^−1
β = 100.592 (6)°	T = 173 K
V = 7300 (3) Å^3	Parallelepiped, red-black
Z = 4	0.30 × 0.28 × 0.18 mm

Data collection

Bruker SMART platform CCD diffractometer	10006 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.071
ω scans	θmax = 25.1°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −14→13
Tmin = 0.830, Tmax = 1.000	k = −51→51
54060 measured reflections	l = −16→16
12917 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)] = 0.040	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.077	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0213P)^2 + 3.9241P] where P = (Fo^2 + 2Fc^2)/3
12917 reflections	(Δ/σ)max = 0.002
799 parameters	Δρmax = 0.82 e Å^−3
0 restraints	Δρmin = −1.16 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.

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

	x	y	z	Uiso*/Ueq
Ta1	0.39437 (2)	0.63905 (2)	0.65823 (2)	0.02156 (6)
I1	0.18557 (3)	0.67355 (2)	0.65588 (2)	0.03372 (9)
N1	0.5517 (3)	0.60839 (9)	0.5168 (3)	0.0328 (9)
N2	0.6117 (3)	0.60835 (9)	0.7986 (3)	0.0311 (9)
N3	0.2203 (3)	0.59810 (8)	0.4945 (3)	0.0287 (9)
N4	0.2848 (3)	0.59415 (8)	0.8097 (3)	0.0276 (9)
N5	0.4960 (3)	0.69751 (9)	0.8014 (3)	0.0298 (9)
N6	0.4571 (3)	0.69739 (8)	0.5241 (3)	0.0285 (9)
C1	0.4952 (4)	0.61869 (10)	0.5686 (3)	0.0271 (11)
C2	0.6154 (4)	0.59757 (10)	0.4505 (3)	0.0304 (11)
C3	0.5620 (4)	0.58201 (10)	0.3675 (4)	0.0337 (12)
C4	0.6266 (4)	0.57190 (11)	0.3012 (4)	0.0410 (13)
H4A	0.591932	0.561855	0.243108	0.049*
C5	0.7407 (5)	0.57641 (12)	0.3193 (4)	0.0460 (14)
H5A	0.784013	0.569243	0.273920	0.055*
C6	0.7924 (4)	0.59116 (11)	0.4026 (4)	0.0428 (13)
H6A	0.871088	0.593737	0.414544	0.051*
C7	0.7303 (4)	0.60240 (11)	0.4697 (4)	0.0347 (12)
C8	0.4381 (4)	0.57424 (12)	0.3524 (4)	0.0440 (14)
H8A	0.399530	0.591410	0.380239	0.066*
C9	0.4247 (5)	0.54519 (13)	0.4112 (5)	0.0679 (18)
H9A	0.448452	0.549477	0.480711	0.102*
H9B	0.470736	0.528712	0.391817	0.102*
H9C	0.346216	0.538839	0.398571	0.102*
C10	0.3821 (5)	0.57022 (16)	0.2474 (4)	0.0714 (19)
H10A	0.301622	0.567466	0.243769	0.107*
H10B	0.412898	0.552132	0.220125	0.107*
H10C	0.395302	0.588468	0.210102	0.107*
C11	0.7879 (4)	0.62117 (12)	0.5567 (4)	0.0452 (14)
H11A	0.739718	0.620825	0.607309	0.068*
C12	0.9023 (5)	0.60871 (15)	0.6021 (4)	0.0637 (17)
H12A	0.931224	0.620092	0.661896	0.096*
H12B	0.953519	0.611097	0.556148	0.096*
H12C	0.895944	0.586914	0.617541	0.096*
C13	0.7991 (5)	0.65437 (13)	0.5254 (4)	0.0662 (18)
H13A	0.724944	0.663790	0.509983	0.099*
H13B	0.834172	0.654896	0.467760	0.099*
H13C	0.845308	0.665770	0.578462	0.099*
C14	0.5341 (4)	0.61909 (10)	0.7470 (3)	0.0287 (11)
C15	0.6805 (4)	0.59281 (10)	0.8722 (3)	0.0281 (11)
C16	0.7358 (4)	0.56626 (11)	0.8486 (4)	0.0362 (12)
C17	0.8013 (4)	0.55048 (12)	0.9248 (4)	0.0488 (14)
H17A	0.840590	0.532660	0.911197	0.059*
C18	0.8103 (5)	0.56014 (14)	1.0194 (4)	0.0547 (16)
H18A	0.853260	0.548515	1.070454	0.066*
C19	0.7575 (5)	0.58666 (13)	1.0410 (4)	0.0533 (15)
H19A	0.765781	0.593210	1.106738	0.064*
C20	0.6923 (4)	0.60392 (11)	0.9680 (4)	0.0392 (12)
C21	0.7223 (5)	0.55620 (12)	0.7435 (4)	0.0497 (15)
H21A	0.723144	0.575169	0.703417	0.075*
C22	0.8176 (6)	0.53571 (15)	0.7238 (5)	0.092 (3)
H22A	0.811665	0.532960	0.653445	0.139*
H22B	0.813046	0.515672	0.754651	0.139*
H22C	0.889267	0.545376	0.750620	0.139*
C23	0.6089 (6)	0.54036 (14)	0.7087 (4)	0.0707 (19)
H23A	0.548595	0.554136	0.718884	0.106*
H23B	0.605513	0.521397	0.745694	0.106*
H23C	0.600652	0.535486	0.639288	0.106*
C24	0.6348 (5)	0.63274 (12)	0.9922 (4)	0.0517 (15)
H24A	0.608584	0.643867	0.929635	0.077*
C25	0.7130 (6)	0.65423 (15)	1.0579 (5)	0.080 (2)
H25A	0.781193	0.657179	1.031201	0.119*
H25B	0.732112	0.645300	1.123142	0.119*
H25C	0.676207	0.674075	1.061606	0.119*
C26	0.5322 (5)	0.62541 (14)	1.0352 (5)	0.0708 (19)
H26A	0.498547	0.644539	1.052717	0.106*
H26B	0.553726	0.612690	1.093404	0.106*
H26C	0.478057	0.614256	0.987087	0.106*
C27	0.2825 (4)	0.61210 (10)	0.5520 (3)	0.0258 (10)
C28	0.1519 (4)	0.57905 (10)	0.4287 (3)	0.0283 (11)
C29	0.1031 (4)	0.59098 (10)	0.3378 (4)	0.0330 (11)
C30	0.0374 (4)	0.57092 (12)	0.2744 (4)	0.0382 (12)
H30A	0.002077	0.578031	0.212101	0.046*
C31	0.0227 (4)	0.54101 (12)	0.3001 (4)	0.0455 (14)
H31A	−0.022101	0.527694	0.255264	0.055*
C32	0.0719 (4)	0.53007 (11)	0.3900 (4)	0.0400 (13)
H32A	0.059856	0.509341	0.406387	0.048*
C33	0.1386 (4)	0.54859 (10)	0.4571 (3)	0.0307 (11)
C34	0.1215 (4)	0.62426 (11)	0.3137 (3)	0.0389 (13)
H34A	0.198302	0.630164	0.346940	0.058*
C35	0.1136 (5)	0.62956 (13)	0.2041 (4)	0.0587 (17)
H35A	0.161343	0.614760	0.178489	0.088*
H35B	0.138183	0.650458	0.192999	0.088*
H35C	0.036094	0.626853	0.170882	0.088*
C36	0.0389 (5)	0.64486 (12)	0.3525 (4)	0.0576 (16)
H36A	0.047914	0.642287	0.423186	0.086*
H36B	−0.037336	0.639237	0.321931	0.086*
H36C	0.052893	0.666312	0.337508	0.086*
C37	0.1935 (4)	0.53704 (11)	0.5567 (4)	0.0382 (12)
H37A	0.265951	0.548214	0.575238	0.057*
C38	0.1217 (4)	0.54530 (12)	0.6322 (4)	0.0462 (14)
H38A	0.158826	0.538233	0.696569	0.069*
H38B	0.048704	0.535354	0.614796	0.069*
H38C	0.111799	0.567611	0.633395	0.069*
C39	0.2201 (5)	0.50289 (12)	0.5593 (4)	0.0554 (16)
H39A	0.263236	0.498053	0.508575	0.083*
H39B	0.150388	0.491119	0.547743	0.083*
H39C	0.263714	0.497493	0.623102	0.083*
C40	0.3232 (4)	0.60924 (9)	0.7558 (3)	0.0234 (10)
C41	0.2333 (4)	0.57781 (10)	0.8759 (3)	0.0314 (11)
C42	0.2700 (4)	0.54821 (11)	0.9023 (3)	0.0373 (12)
C43	0.2173 (5)	0.53273 (12)	0.9689 (4)	0.0538 (16)
H43A	0.239650	0.512441	0.988366	0.065*
C44	0.1337 (5)	0.54658 (14)	1.0062 (4)	0.0634 (18)
H44A	0.099763	0.535880	1.052393	0.076*
C45	0.0977 (5)	0.57575 (13)	0.9782 (4)	0.0509 (15)
H45A	0.037644	0.584515	1.003454	0.061*
C46	0.1480 (4)	0.59257 (10)	0.9135 (3)	0.0329 (11)
C47	0.3647 (5)	0.53361 (11)	0.8623 (4)	0.0467 (15)
H47A	0.370058	0.544167	0.799839	0.070*
C48	0.3485 (5)	0.49940 (12)	0.8411 (4)	0.0600 (17)
H48A	0.408159	0.491940	0.808709	0.090*
H48B	0.276092	0.496058	0.798584	0.090*
H48C	0.350810	0.488227	0.902238	0.090*
C49	0.4730 (5)	0.53953 (13)	0.9336 (5)	0.0647 (18)
H49A	0.534606	0.529073	0.910891	0.097*
H49B	0.466290	0.531670	0.997959	0.097*
H49C	0.487732	0.561641	0.937828	0.097*
C50	0.1144 (4)	0.62516 (11)	0.8841 (4)	0.0398 (13)
H50A	0.117056	0.627235	0.813288	0.060*
C51	−0.0028 (5)	0.63346 (13)	0.8968 (4)	0.0600 (17)
H51A	−0.054936	0.617510	0.867334	0.090*
H51B	−0.024190	0.653179	0.865090	0.090*
H51C	−0.005142	0.635059	0.966362	0.090*
C52	0.1986 (5)	0.64787 (11)	0.9390 (4)	0.0487 (15)
H52A	0.273863	0.642374	0.929547	0.073*
H52B	0.195553	0.647167	1.008499	0.073*
H52C	0.180548	0.668647	0.914138	0.073*
C53	0.4591 (4)	0.67580 (10)	0.7569 (3)	0.0262 (10)
C54	0.5528 (4)	0.72403 (10)	0.8380 (3)	0.0294 (11)
C55	0.6547 (4)	0.73057 (11)	0.8073 (3)	0.0317 (11)
C56	0.7105 (4)	0.75676 (12)	0.8448 (4)	0.0416 (13)
H56A	0.779406	0.761816	0.826163	0.050*
C57	0.6694 (4)	0.77559 (11)	0.9079 (4)	0.0444 (14)
H57A	0.710339	0.793260	0.933272	0.053*
C58	0.5689 (4)	0.76909 (12)	0.9349 (4)	0.0441 (14)
H58A	0.541171	0.782486	0.978485	0.053*
C59	0.5071 (4)	0.74334 (11)	0.8997 (3)	0.0344 (12)
C60	0.6992 (4)	0.70926 (11)	0.7367 (3)	0.0371 (12)
H60A	0.633526	0.700028	0.692756	0.056*
C61	0.7658 (4)	0.68309 (12)	0.7918 (4)	0.0488 (14)
H61A	0.793390	0.669522	0.745578	0.073*
H61B	0.717716	0.671417	0.827573	0.073*
H61C	0.829128	0.691514	0.837717	0.073*
C62	0.7673 (5)	0.72657 (12)	0.6731 (4)	0.0517 (15)
H62A	0.784744	0.712839	0.622476	0.078*
H62B	0.836804	0.733892	0.713321	0.078*
H62C	0.724157	0.744128	0.642720	0.078*
C63	0.3952 (5)	0.73607 (12)	0.9267 (4)	0.0480 (15)
H63A	0.354439	0.722147	0.875317	0.072*
C64	0.4089 (6)	0.71921 (16)	1.0218 (5)	0.089 (2)
H64A	0.450428	0.700156	1.017359	0.133*
H64B	0.335314	0.714345	1.036460	0.133*
H64C	0.450089	0.732119	1.073697	0.133*
C65	0.3237 (5)	0.76484 (15)	0.9284 (4)	0.0671 (18)
H65A	0.313432	0.774982	0.864810	0.101*
H65B	0.361042	0.778931	0.978674	0.101*
H65C	0.250769	0.759054	0.942818	0.101*
C66	0.4326 (4)	0.67653 (10)	0.5682 (3)	0.0238 (10)
C67	0.4872 (4)	0.72037 (10)	0.4647 (3)	0.0286 (11)
C68	0.4910 (4)	0.75096 (10)	0.4970 (3)	0.0346 (12)
C69	0.5214 (4)	0.77299 (11)	0.4345 (4)	0.0437 (14)
H69A	0.526420	0.793871	0.454337	0.052*
C70	0.5442 (4)	0.76530 (13)	0.3452 (4)	0.0487 (15)
H70A	0.562062	0.780878	0.303077	0.058*
C71	0.5412 (4)	0.73506 (12)	0.3163 (4)	0.0422 (13)
H71A	0.559848	0.730085	0.255093	0.051*
C72	0.5120 (4)	0.71167 (11)	0.3739 (3)	0.0345 (12)
C73	0.4666 (5)	0.75876 (11)	0.5966 (4)	0.0423 (13)
H73A	0.500456	0.742200	0.642163	0.063*
C74	0.3423 (5)	0.75919 (13)	0.5983 (4)	0.0592 (17)
H74A	0.330480	0.765381	0.663032	0.089*
H74B	0.311116	0.738651	0.583195	0.089*
H74C	0.305045	0.773829	0.549714	0.089*
C75	0.5181 (6)	0.78935 (13)	0.6376 (4)	0.0693 (19)
H75A	0.597137	0.789917	0.632339	0.104*
H75B	0.511259	0.791212	0.706134	0.104*
H75C	0.478779	0.806417	0.600520	0.104*
C76	0.5084 (4)	0.67844 (11)	0.3433 (4)	0.0415 (13)
H76A	0.525582	0.665801	0.403893	0.062*
C77	0.5929 (5)	0.67004 (13)	0.2808 (4)	0.0615 (17)
H77A	0.667301	0.676674	0.313098	0.092*
H77B	0.573308	0.680253	0.217493	0.092*
H77C	0.592692	0.647756	0.271296	0.092*
C78	0.3918 (5)	0.66987 (14)	0.2919 (5)	0.073 (2)
H78A	0.338045	0.674881	0.333706	0.109*
H78B	0.388792	0.647812	0.277855	0.109*
H78C	0.373204	0.681371	0.230784	0.109*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ta1	0.02616 (10)	0.01770 (9)	0.02185 (9)	−0.00065 (9)	0.00711 (7)	−0.00006 (8)
I1	0.03396 (19)	0.03081 (17)	0.03816 (19)	0.00841 (14)	0.01122 (15)	0.00601 (14)
N1	0.034 (2)	0.032 (2)	0.035 (2)	0.0000 (19)	0.012 (2)	−0.0002 (19)
N2	0.032 (2)	0.032 (2)	0.030 (2)	0.0086 (19)	0.0061 (19)	0.0025 (18)
N3	0.028 (2)	0.029 (2)	0.030 (2)	−0.0030 (18)	0.0083 (19)	−0.0028 (18)
N4	0.034 (2)	0.022 (2)	0.028 (2)	0.0030 (17)	0.0114 (19)	0.0043 (17)
N5	0.030 (2)	0.029 (2)	0.030 (2)	−0.0020 (18)	0.0053 (18)	−0.0048 (18)
N6	0.033 (2)	0.027 (2)	0.028 (2)	−0.0018 (18)	0.0102 (18)	0.0032 (18)
C1	0.030 (3)	0.022 (2)	0.028 (3)	−0.002 (2)	0.002 (2)	−0.001 (2)
C2	0.037 (3)	0.025 (3)	0.034 (3)	0.004 (2)	0.017 (2)	−0.001 (2)
C3	0.035 (3)	0.026 (3)	0.043 (3)	0.004 (2)	0.015 (2)	−0.002 (2)
C4	0.054 (4)	0.032 (3)	0.043 (3)	−0.001 (3)	0.024 (3)	−0.012 (2)
C5	0.048 (4)	0.045 (3)	0.053 (4)	0.001 (3)	0.033 (3)	−0.007 (3)
C6	0.039 (3)	0.038 (3)	0.056 (4)	−0.002 (2)	0.022 (3)	−0.003 (3)
C7	0.037 (3)	0.029 (3)	0.041 (3)	0.004 (2)	0.014 (2)	0.003 (2)
C8	0.038 (3)	0.046 (3)	0.051 (3)	−0.001 (3)	0.016 (3)	−0.013 (3)
C9	0.057 (4)	0.054 (4)	0.097 (5)	−0.018 (3)	0.025 (4)	−0.002 (4)
C10	0.052 (4)	0.095 (5)	0.064 (4)	0.000 (4)	0.002 (3)	−0.021 (4)
C11	0.041 (3)	0.051 (4)	0.044 (3)	−0.003 (3)	0.009 (3)	−0.003 (3)
C12	0.051 (4)	0.078 (5)	0.060 (4)	−0.001 (3)	0.002 (3)	0.004 (3)
C13	0.081 (5)	0.045 (4)	0.068 (4)	0.002 (3)	0.004 (4)	−0.015 (3)
C14	0.038 (3)	0.025 (3)	0.028 (3)	−0.006 (2)	0.018 (2)	−0.007 (2)
C15	0.028 (3)	0.025 (2)	0.031 (3)	0.000 (2)	0.005 (2)	0.003 (2)
C16	0.034 (3)	0.032 (3)	0.043 (3)	−0.003 (2)	0.011 (2)	0.005 (2)
C17	0.038 (3)	0.041 (3)	0.070 (4)	0.007 (3)	0.016 (3)	0.014 (3)
C18	0.045 (4)	0.060 (4)	0.054 (4)	0.002 (3)	−0.004 (3)	0.025 (3)
C19	0.067 (4)	0.049 (4)	0.038 (3)	−0.005 (3)	−0.006 (3)	0.011 (3)
C20	0.044 (3)	0.037 (3)	0.034 (3)	−0.004 (3)	0.003 (2)	0.006 (2)
C21	0.066 (4)	0.036 (3)	0.055 (4)	0.015 (3)	0.030 (3)	0.004 (3)
C22	0.127 (7)	0.070 (5)	0.096 (6)	0.048 (5)	0.061 (5)	0.003 (4)
C23	0.100 (6)	0.056 (4)	0.055 (4)	−0.010 (4)	0.013 (4)	−0.017 (3)
C24	0.078 (4)	0.042 (3)	0.034 (3)	0.004 (3)	0.011 (3)	−0.005 (2)
C25	0.102 (6)	0.065 (4)	0.081 (5)	−0.027 (4)	0.041 (4)	−0.034 (4)
C26	0.054 (4)	0.066 (4)	0.093 (5)	0.000 (3)	0.017 (4)	−0.033 (4)
C27	0.033 (3)	0.020 (2)	0.028 (3)	0.002 (2)	0.015 (2)	0.003 (2)
C28	0.024 (3)	0.026 (3)	0.037 (3)	−0.004 (2)	0.011 (2)	−0.008 (2)
C29	0.033 (3)	0.035 (3)	0.032 (3)	−0.001 (2)	0.009 (2)	−0.003 (2)
C30	0.033 (3)	0.044 (3)	0.035 (3)	−0.001 (2)	−0.001 (2)	−0.007 (2)
C31	0.034 (3)	0.042 (3)	0.058 (4)	−0.011 (3)	0.000 (3)	−0.023 (3)
C32	0.036 (3)	0.028 (3)	0.056 (4)	−0.007 (2)	0.007 (3)	−0.009 (2)
C33	0.024 (3)	0.025 (3)	0.045 (3)	0.000 (2)	0.011 (2)	−0.004 (2)
C34	0.044 (3)	0.039 (3)	0.032 (3)	−0.005 (2)	0.002 (2)	0.006 (2)
C35	0.079 (5)	0.050 (4)	0.050 (4)	0.010 (3)	0.019 (3)	0.010 (3)
C36	0.083 (5)	0.036 (3)	0.057 (4)	0.002 (3)	0.020 (3)	0.005 (3)
C37	0.042 (3)	0.027 (3)	0.046 (3)	−0.002 (2)	0.011 (3)	0.001 (2)
C38	0.053 (4)	0.042 (3)	0.046 (3)	−0.004 (3)	0.016 (3)	0.003 (3)
C39	0.074 (4)	0.038 (3)	0.054 (4)	0.011 (3)	0.010 (3)	0.004 (3)
C40	0.024 (3)	0.019 (2)	0.026 (2)	0.0030 (19)	0.000 (2)	−0.0003 (19)
C41	0.037 (3)	0.031 (3)	0.029 (3)	0.001 (2)	0.012 (2)	0.007 (2)
C42	0.042 (3)	0.037 (3)	0.038 (3)	0.001 (2)	0.017 (2)	0.010 (2)
C43	0.070 (4)	0.034 (3)	0.065 (4)	0.010 (3)	0.034 (3)	0.024 (3)
C44	0.079 (5)	0.055 (4)	0.070 (4)	0.004 (3)	0.050 (4)	0.026 (3)
C45	0.049 (4)	0.058 (4)	0.055 (4)	0.011 (3)	0.031 (3)	0.012 (3)
C46	0.041 (3)	0.030 (3)	0.030 (3)	0.003 (2)	0.014 (2)	0.001 (2)
C47	0.058 (4)	0.025 (3)	0.065 (4)	0.008 (3)	0.029 (3)	0.006 (3)
C48	0.073 (5)	0.038 (3)	0.071 (4)	0.016 (3)	0.018 (4)	−0.004 (3)
C49	0.058 (4)	0.043 (4)	0.102 (5)	−0.004 (3)	0.039 (4)	−0.003 (3)
C50	0.040 (3)	0.041 (3)	0.041 (3)	0.012 (2)	0.013 (3)	0.006 (2)
C51	0.050 (4)	0.062 (4)	0.069 (4)	0.020 (3)	0.013 (3)	−0.007 (3)
C52	0.063 (4)	0.030 (3)	0.055 (4)	0.008 (3)	0.017 (3)	0.000 (2)
C53	0.027 (3)	0.024 (3)	0.029 (3)	0.006 (2)	0.010 (2)	0.004 (2)
C54	0.030 (3)	0.025 (3)	0.030 (3)	−0.004 (2)	−0.003 (2)	−0.007 (2)
C55	0.031 (3)	0.034 (3)	0.027 (3)	0.001 (2)	−0.001 (2)	0.001 (2)
C56	0.033 (3)	0.048 (3)	0.043 (3)	−0.011 (3)	0.004 (3)	−0.007 (3)
C57	0.042 (3)	0.033 (3)	0.053 (4)	−0.012 (2)	−0.004 (3)	−0.011 (3)
C58	0.044 (3)	0.044 (3)	0.042 (3)	0.003 (3)	0.000 (3)	−0.019 (3)
C59	0.040 (3)	0.029 (3)	0.034 (3)	−0.002 (2)	0.005 (2)	−0.007 (2)
C60	0.037 (3)	0.039 (3)	0.036 (3)	0.001 (2)	0.010 (2)	−0.002 (2)
C61	0.044 (3)	0.044 (3)	0.061 (4)	0.007 (3)	0.015 (3)	−0.004 (3)
C62	0.059 (4)	0.049 (4)	0.053 (4)	−0.005 (3)	0.025 (3)	0.000 (3)
C63	0.050 (4)	0.043 (3)	0.055 (4)	−0.009 (3)	0.023 (3)	−0.022 (3)
C64	0.089 (6)	0.080 (5)	0.110 (6)	0.012 (4)	0.052 (5)	0.035 (5)
C65	0.059 (4)	0.080 (5)	0.067 (4)	0.018 (4)	0.024 (4)	−0.001 (4)
C66	0.026 (3)	0.022 (2)	0.023 (2)	0.003 (2)	0.004 (2)	−0.003 (2)
C67	0.030 (3)	0.028 (3)	0.026 (3)	−0.003 (2)	0.000 (2)	0.011 (2)
C68	0.036 (3)	0.026 (3)	0.040 (3)	−0.005 (2)	0.000 (2)	0.009 (2)
C69	0.050 (4)	0.026 (3)	0.052 (4)	−0.009 (2)	0.001 (3)	0.012 (2)
C70	0.051 (4)	0.046 (4)	0.047 (4)	−0.010 (3)	0.007 (3)	0.023 (3)
C71	0.046 (3)	0.046 (3)	0.036 (3)	−0.006 (3)	0.011 (3)	0.014 (2)
C72	0.030 (3)	0.034 (3)	0.038 (3)	−0.007 (2)	0.003 (2)	0.010 (2)
C73	0.059 (4)	0.025 (3)	0.039 (3)	−0.001 (3)	0.000 (3)	−0.001 (2)
C74	0.076 (5)	0.049 (4)	0.056 (4)	−0.002 (3)	0.023 (3)	−0.010 (3)
C75	0.094 (5)	0.046 (4)	0.060 (4)	−0.003 (3)	−0.006 (4)	−0.014 (3)
C76	0.054 (4)	0.037 (3)	0.037 (3)	0.001 (3)	0.016 (3)	0.000 (2)
C77	0.075 (5)	0.061 (4)	0.055 (4)	0.002 (3)	0.027 (3)	−0.010 (3)
C78	0.073 (5)	0.052 (4)	0.095 (5)	−0.020 (3)	0.020 (4)	−0.028 (4)

Geometric parameters (Å, º)

Ta1—C14	2.103 (5)	C37—C39	1.522 (6)
Ta1—C1	2.107 (5)	C37—C38	1.532 (6)
Ta1—C66	2.164 (4)	C37—H37A	1.0000
Ta1—C53	2.165 (5)	C38—H38A	0.9800
Ta1—C27	2.168 (5)	C38—H38B	0.9800
Ta1—C40	2.177 (4)	C38—H38C	0.9800
Ta1—I1	2.9513 (7)	C39—H39A	0.9800
N1—C1	1.175 (5)	C39—H39B	0.9800
N1—C2	1.397 (6)	C39—H39C	0.9800
N2—C14	1.176 (6)	C41—C42	1.393 (6)
N2—C15	1.379 (6)	C41—C46	1.405 (6)
N3—C27	1.170 (5)	C42—C43	1.399 (6)
N3—C28	1.396 (6)	C42—C47	1.512 (7)
N4—C40	1.161 (5)	C43—C44	1.368 (7)
N4—C41	1.405 (5)	C43—H43A	0.9500
N5—C53	1.175 (5)	C44—C45	1.378 (7)
N5—C54	1.396 (5)	C44—H44A	0.9500
N6—C66	1.167 (5)	C45—C46	1.390 (7)
N6—C67	1.392 (5)	C45—H45A	0.9500
C2—C7	1.393 (6)	C46—C50	1.514 (6)
C2—C3	1.397 (6)	C47—C49	1.523 (8)
C3—C4	1.394 (6)	C47—C48	1.526 (7)
C3—C8	1.525 (7)	C47—H47A	1.0000
C4—C5	1.382 (7)	C48—H48A	0.9800
C4—H4A	0.9500	C48—H48B	0.9800
C5—C6	1.376 (7)	C48—H48C	0.9800
C5—H5A	0.9500	C49—H49A	0.9800
C6—C7	1.398 (6)	C49—H49B	0.9800
C6—H6A	0.9500	C49—H49C	0.9800
C7—C11	1.525 (7)	C50—C51	1.516 (7)
C8—C10	1.511 (7)	C50—C52	1.528 (7)
C8—C9	1.534 (7)	C50—H50A	1.0000
C8—H8A	1.0000	C51—H51A	0.9800
C9—H9A	0.9800	C51—H51B	0.9800
C9—H9B	0.9800	C51—H51C	0.9800
C9—H9C	0.9800	C52—H52A	0.9800
C10—H10A	0.9800	C52—H52B	0.9800
C10—H10B	0.9800	C52—H52C	0.9800
C10—H10C	0.9800	C54—C59	1.393 (6)
C11—C12	1.523 (7)	C54—C55	1.416 (6)
C11—C13	1.524 (7)	C55—C56	1.382 (6)
C11—H11A	1.0000	C55—C60	1.526 (6)
C12—H12A	0.9800	C56—C57	1.366 (7)
C12—H12B	0.9800	C56—H56A	0.9500
C12—H12C	0.9800	C57—C58	1.376 (7)
C13—H13A	0.9800	C57—H57A	0.9500
C13—H13B	0.9800	C58—C59	1.390 (6)
C13—H13C	0.9800	C58—H58A	0.9500
C15—C20	1.407 (6)	C59—C63	1.514 (7)
C15—C16	1.408 (6)	C60—C62	1.523 (7)
C16—C17	1.391 (7)	C60—C61	1.524 (7)
C16—C21	1.513 (7)	C60—H60A	1.0000
C17—C18	1.372 (8)	C61—H61A	0.9800
C17—H17A	0.9500	C61—H61B	0.9800
C18—C19	1.383 (8)	C61—H61C	0.9800
C18—H18A	0.9500	C62—H62A	0.9800
C19—C20	1.393 (7)	C62—H62B	0.9800
C19—H19A	0.9500	C62—H62C	0.9800
C20—C24	1.506 (7)	C63—C64	1.501 (8)
C21—C22	1.531 (7)	C63—C65	1.529 (7)
C21—C23	1.541 (8)	C63—H63A	1.0000
C21—H21A	1.0000	C64—H64A	0.9800
C22—H22A	0.9800	C64—H64B	0.9800
C22—H22B	0.9800	C64—H64C	0.9800
C22—H22C	0.9800	C65—H65A	0.9800
C23—H23A	0.9800	C65—H65B	0.9800
C23—H23B	0.9800	C65—H65C	0.9800
C23—H23C	0.9800	C67—C68	1.405 (6)
C24—C26	1.518 (8)	C67—C72	1.410 (6)
C24—C25	1.519 (8)	C68—C69	1.393 (6)
C24—H24A	1.0000	C68—C73	1.516 (7)
C25—H25A	0.9800	C69—C70	1.370 (7)
C25—H25B	0.9800	C69—H69A	0.9500
C25—H25C	0.9800	C70—C71	1.376 (7)
C26—H26A	0.9800	C70—H70A	0.9500
C26—H26B	0.9800	C71—C72	1.386 (6)
C26—H26C	0.9800	C71—H71A	0.9500
C28—C29	1.400 (6)	C72—C76	1.508 (6)
C28—C33	1.403 (6)	C73—C74	1.520 (7)
C29—C30	1.389 (6)	C73—C75	1.539 (7)
C29—C34	1.515 (6)	C73—H73A	1.0000
C30—C31	1.372 (7)	C74—H74A	0.9800
C30—H30A	0.9500	C74—H74B	0.9800
C31—C32	1.374 (7)	C74—H74C	0.9800
C31—H31A	0.9500	C75—H75A	0.9800
C32—C33	1.383 (6)	C75—H75B	0.9800
C32—H32A	0.9500	C75—H75C	0.9800
C33—C37	1.516 (6)	C76—C77	1.513 (7)
C34—C36	1.522 (7)	C76—C78	1.518 (7)
C34—C35	1.535 (7)	C76—H76A	1.0000
C34—H34A	1.0000	C77—H77A	0.9800
C35—H35A	0.9800	C77—H77B	0.9800
C35—H35B	0.9800	C77—H77C	0.9800
C35—H35C	0.9800	C78—H78A	0.9800
C36—H36A	0.9800	C78—H78B	0.9800
C36—H36B	0.9800	C78—H78C	0.9800
C36—H36C	0.9800
C14—Ta1—C1	71.25 (17)	C38—C37—H37A	107.2
C14—Ta1—C66	114.66 (17)	C37—C38—H38A	109.5
C1—Ta1—C66	76.10 (16)	C37—C38—H38B	109.5
C14—Ta1—C53	76.64 (16)	H38A—C38—H38B	109.5
C1—Ta1—C53	120.40 (17)	C37—C38—H38C	109.5
C66—Ta1—C53	73.75 (16)	H38A—C38—H38C	109.5
C14—Ta1—C27	121.31 (16)	H38B—C38—H38C	109.5
C1—Ta1—C27	74.17 (16)	C37—C39—H39A	109.5
C66—Ta1—C27	100.73 (15)	C37—C39—H39B	109.5
C53—Ta1—C27	161.19 (16)	H39A—C39—H39B	109.5
C14—Ta1—C40	75.92 (16)	C37—C39—H39C	109.5
C1—Ta1—C40	117.74 (16)	H39A—C39—H39C	109.5
C66—Ta1—C40	165.51 (15)	H39B—C39—H39C	109.5
C53—Ta1—C40	100.53 (16)	N4—C40—Ta1	177.8 (4)
C27—Ta1—C40	80.37 (16)	C42—C41—N4	118.9 (4)
C14—Ta1—I1	145.18 (11)	C42—C41—C46	123.3 (4)
C1—Ta1—I1	143.57 (12)	N4—C41—C46	117.8 (4)
C66—Ta1—I1	83.51 (11)	C41—C42—C43	117.3 (5)
C53—Ta1—I1	80.99 (11)	C41—C42—C47	121.5 (4)
C27—Ta1—I1	80.52 (11)	C43—C42—C47	121.3 (5)
C40—Ta1—I1	82.43 (11)	C44—C43—C42	120.5 (5)
C1—N1—C2	176.1 (5)	C44—C43—H43A	119.8
C14—N2—C15	164.4 (5)	C42—C43—H43A	119.8
C27—N3—C28	174.8 (5)	C43—C44—C45	121.2 (5)
C40—N4—C41	175.6 (4)	C43—C44—H44A	119.4
C53—N5—C54	167.6 (4)	C45—C44—H44A	119.4
C66—N6—C67	174.7 (4)	C44—C45—C46	121.1 (5)
N1—C1—Ta1	177.4 (4)	C44—C45—H45A	119.5
C7—C2—C3	122.1 (4)	C46—C45—H45A	119.5
C7—C2—N1	118.9 (4)	C45—C46—C41	116.6 (4)
C3—C2—N1	118.9 (4)	C45—C46—C50	122.8 (4)
C4—C3—C2	118.2 (4)	C41—C46—C50	120.6 (4)
C4—C3—C8	120.2 (4)	C42—C47—C49	108.4 (5)
C2—C3—C8	121.5 (4)	C42—C47—C48	113.7 (4)
C5—C4—C3	120.3 (5)	C49—C47—C48	111.0 (5)
C5—C4—H4A	119.8	C42—C47—H47A	107.8
C3—C4—H4A	119.8	C49—C47—H47A	107.8
C6—C5—C4	120.7 (5)	C48—C47—H47A	107.8
C6—C5—H5A	119.6	C47—C48—H48A	109.5
C4—C5—H5A	119.6	C47—C48—H48B	109.5
C5—C6—C7	120.7 (5)	H48A—C48—H48B	109.5
C5—C6—H6A	119.6	C47—C48—H48C	109.5
C7—C6—H6A	119.6	H48A—C48—H48C	109.5
C2—C7—C6	117.8 (5)	H48B—C48—H48C	109.5
C2—C7—C11	122.3 (4)	C47—C49—H49A	109.5
C6—C7—C11	119.8 (5)	C47—C49—H49B	109.5
C10—C8—C3	114.9 (4)	H49A—C49—H49B	109.5
C10—C8—C9	110.6 (5)	C47—C49—H49C	109.5
C3—C8—C9	108.0 (4)	H49A—C49—H49C	109.5
C10—C8—H8A	107.7	H49B—C49—H49C	109.5
C3—C8—H8A	107.7	C46—C50—C51	113.9 (4)
C9—C8—H8A	107.7	C46—C50—C52	110.3 (4)
C8—C9—H9A	109.5	C51—C50—C52	110.3 (4)
C8—C9—H9B	109.5	C46—C50—H50A	107.3
H9A—C9—H9B	109.5	C51—C50—H50A	107.3
C8—C9—H9C	109.5	C52—C50—H50A	107.3
H9A—C9—H9C	109.5	C50—C51—H51A	109.5
H9B—C9—H9C	109.5	C50—C51—H51B	109.5
C8—C10—H10A	109.5	H51A—C51—H51B	109.5
C8—C10—H10B	109.5	C50—C51—H51C	109.5
H10A—C10—H10B	109.5	H51A—C51—H51C	109.5
C8—C10—H10C	109.5	H51B—C51—H51C	109.5
H10A—C10—H10C	109.5	C50—C52—H52A	109.5
H10B—C10—H10C	109.5	C50—C52—H52B	109.5
C12—C11—C13	109.6 (5)	H52A—C52—H52B	109.5
C12—C11—C7	113.2 (5)	C50—C52—H52C	109.5
C13—C11—C7	109.4 (4)	H52A—C52—H52C	109.5
C12—C11—H11A	108.2	H52B—C52—H52C	109.5
C13—C11—H11A	108.2	N5—C53—Ta1	172.6 (4)
C7—C11—H11A	108.2	C59—C54—N5	119.9 (4)
C11—C12—H12A	109.5	C59—C54—C55	122.7 (4)
C11—C12—H12B	109.5	N5—C54—C55	117.4 (4)
H12A—C12—H12B	109.5	C56—C55—C54	116.7 (4)
C11—C12—H12C	109.5	C56—C55—C60	122.6 (5)
H12A—C12—H12C	109.5	C54—C55—C60	120.7 (4)
H12B—C12—H12C	109.5	C57—C56—C55	121.8 (5)
C11—C13—H13A	109.5	C57—C56—H56A	119.1
C11—C13—H13B	109.5	C55—C56—H56A	119.1
H13A—C13—H13B	109.5	C56—C57—C58	120.3 (5)
C11—C13—H13C	109.5	C56—C57—H57A	119.9
H13A—C13—H13C	109.5	C58—C57—H57A	119.9
H13B—C13—H13C	109.5	C57—C58—C59	121.4 (5)
N2—C14—Ta1	178.3 (4)	C57—C58—H58A	119.3
N2—C15—C20	118.9 (4)	C59—C58—H58A	119.3
N2—C15—C16	118.7 (4)	C58—C59—C54	117.0 (5)
C20—C15—C16	122.4 (4)	C58—C59—C63	122.4 (4)
C17—C16—C15	117.3 (5)	C54—C59—C63	120.6 (4)
C17—C16—C21	123.1 (5)	C62—C60—C61	111.6 (4)
C15—C16—C21	119.6 (4)	C62—C60—C55	111.9 (4)
C18—C17—C16	121.3 (5)	C61—C60—C55	110.4 (4)
C18—C17—H17A	119.3	C62—C60—H60A	107.6
C16—C17—H17A	119.3	C61—C60—H60A	107.6
C17—C18—C19	120.5 (5)	C55—C60—H60A	107.6
C17—C18—H18A	119.7	C60—C61—H61A	109.5
C19—C18—H18A	119.7	C60—C61—H61B	109.5
C18—C19—C20	121.2 (5)	H61A—C61—H61B	109.5
C18—C19—H19A	119.4	C60—C61—H61C	109.5
C20—C19—H19A	119.4	H61A—C61—H61C	109.5
C19—C20—C15	117.1 (5)	H61B—C61—H61C	109.5
C19—C20—C24	120.8 (5)	C60—C62—H62A	109.5
C15—C20—C24	122.1 (4)	C60—C62—H62B	109.5
C16—C21—C22	113.2 (5)	H62A—C62—H62B	109.5
C16—C21—C23	111.6 (4)	C60—C62—H62C	109.5
C22—C21—C23	110.4 (5)	H62A—C62—H62C	109.5
C16—C21—H21A	107.1	H62B—C62—H62C	109.5
C22—C21—H21A	107.1	C64—C63—C59	111.3 (5)
C23—C21—H21A	107.1	C64—C63—C65	111.0 (5)
C21—C22—H22A	109.5	C59—C63—C65	112.0 (5)
C21—C22—H22B	109.5	C64—C63—H63A	107.4
H22A—C22—H22B	109.5	C59—C63—H63A	107.4
C21—C22—H22C	109.5	C65—C63—H63A	107.4
H22A—C22—H22C	109.5	C63—C64—H64A	109.5
H22B—C22—H22C	109.5	C63—C64—H64B	109.5
C21—C23—H23A	109.5	H64A—C64—H64B	109.5
C21—C23—H23B	109.5	C63—C64—H64C	109.5
H23A—C23—H23B	109.5	H64A—C64—H64C	109.5
C21—C23—H23C	109.5	H64B—C64—H64C	109.5
H23A—C23—H23C	109.5	C63—C65—H65A	109.5
H23B—C23—H23C	109.5	C63—C65—H65B	109.5
C20—C24—C26	111.4 (5)	H65A—C65—H65B	109.5
C20—C24—C25	112.5 (5)	C63—C65—H65C	109.5
C26—C24—C25	111.3 (5)	H65A—C65—H65C	109.5
C20—C24—H24A	107.1	H65B—C65—H65C	109.5
C26—C24—H24A	107.1	N6—C66—Ta1	176.3 (4)
C25—C24—H24A	107.1	N6—C67—C68	119.2 (4)
C24—C25—H25A	109.5	N6—C67—C72	117.8 (4)
C24—C25—H25B	109.5	C68—C67—C72	123.0 (4)
H25A—C25—H25B	109.5	C69—C68—C67	116.7 (5)
C24—C25—H25C	109.5	C69—C68—C73	122.8 (4)
H25A—C25—H25C	109.5	C67—C68—C73	120.5 (4)
H25B—C25—H25C	109.5	C70—C69—C68	121.7 (5)
C24—C26—H26A	109.5	C70—C69—H69A	119.2
C24—C26—H26B	109.5	C68—C69—H69A	119.2
H26A—C26—H26B	109.5	C69—C70—C71	120.2 (5)
C24—C26—H26C	109.5	C69—C70—H70A	119.9
H26A—C26—H26C	109.5	C71—C70—H70A	119.9
H26B—C26—H26C	109.5	C70—C71—C72	121.9 (5)
N3—C27—Ta1	178.4 (4)	C70—C71—H71A	119.0
N3—C28—C29	118.7 (4)	C72—C71—H71A	119.0
N3—C28—C33	117.5 (4)	C71—C72—C67	116.5 (5)
C29—C28—C33	123.8 (4)	C71—C72—C76	122.6 (5)
C30—C29—C28	116.4 (4)	C67—C72—C76	120.9 (4)
C30—C29—C34	123.5 (4)	C68—C73—C74	112.4 (4)
C28—C29—C34	120.2 (4)	C68—C73—C75	113.6 (4)
C31—C30—C29	121.2 (5)	C74—C73—C75	108.9 (5)
C31—C30—H30A	119.4	C68—C73—H73A	107.2
C29—C30—H30A	119.4	C74—C73—H73A	107.2
C30—C31—C32	120.8 (5)	C75—C73—H73A	107.2
C30—C31—H31A	119.6	C73—C74—H74A	109.5
C32—C31—H31A	119.6	C73—C74—H74B	109.5
C31—C32—C33	121.4 (5)	H74A—C74—H74B	109.5
C31—C32—H32A	119.3	C73—C74—H74C	109.5
C33—C32—H32A	119.3	H74A—C74—H74C	109.5
C32—C33—C28	116.4 (4)	H74B—C74—H74C	109.5
C32—C33—C37	122.3 (4)	C73—C75—H75A	109.5
C28—C33—C37	121.3 (4)	C73—C75—H75B	109.5
C29—C34—C36	110.5 (4)	H75A—C75—H75B	109.5
C29—C34—C35	112.5 (4)	C73—C75—H75C	109.5
C36—C34—C35	110.1 (4)	H75A—C75—H75C	109.5
C29—C34—H34A	107.9	H75B—C75—H75C	109.5
C36—C34—H34A	107.9	C72—C76—C77	114.2 (4)
C35—C34—H34A	107.9	C72—C76—C78	110.3 (4)
C34—C35—H35A	109.5	C77—C76—C78	110.2 (5)
C34—C35—H35B	109.5	C72—C76—H76A	107.3
H35A—C35—H35B	109.5	C77—C76—H76A	107.3
C34—C35—H35C	109.5	C78—C76—H76A	107.3
H35A—C35—H35C	109.5	C76—C77—H77A	109.5
H35B—C35—H35C	109.5	C76—C77—H77B	109.5
C34—C36—H36A	109.5	H77A—C77—H77B	109.5
C34—C36—H36B	109.5	C76—C77—H77C	109.5
H36A—C36—H36B	109.5	H77A—C77—H77C	109.5
C34—C36—H36C	109.5	H77B—C77—H77C	109.5
H36A—C36—H36C	109.5	C76—C78—H78A	109.5
H36B—C36—H36C	109.5	C76—C78—H78B	109.5
C33—C37—C39	113.7 (4)	H78A—C78—H78B	109.5
C33—C37—C38	110.1 (4)	C76—C78—H78C	109.5
C39—C37—C38	111.1 (4)	H78A—C78—H78C	109.5
C33—C37—H37A	107.2	H78B—C78—H78C	109.5
C39—C37—H37A	107.2
C7—C2—C3—C4	−1.9 (7)	N4—C41—C42—C43	179.6 (5)
N1—C2—C3—C4	178.7 (4)	C46—C41—C42—C43	0.7 (8)
C7—C2—C3—C8	174.1 (4)	N4—C41—C42—C47	0.9 (7)
N1—C2—C3—C8	−5.3 (7)	C46—C41—C42—C47	−178.0 (5)
C2—C3—C4—C5	2.1 (7)	C41—C42—C43—C44	−0.4 (9)
C8—C3—C4—C5	−173.9 (5)	C47—C42—C43—C44	178.3 (6)
C3—C4—C5—C6	−0.6 (8)	C42—C43—C44—C45	1.2 (10)
C4—C5—C6—C7	−1.2 (8)	C43—C44—C45—C46	−2.4 (10)
C3—C2—C7—C6	0.2 (7)	C44—C45—C46—C41	2.5 (8)
N1—C2—C7—C6	179.6 (4)	C44—C45—C46—C50	−177.4 (5)
C3—C2—C7—C11	175.9 (4)	C42—C41—C46—C45	−1.7 (7)
N1—C2—C7—C11	−4.7 (7)	N4—C41—C46—C45	179.4 (4)
C5—C6—C7—C2	1.4 (7)	C42—C41—C46—C50	178.2 (5)
C5—C6—C7—C11	−174.5 (5)	N4—C41—C46—C50	−0.7 (7)
C4—C3—C8—C10	−29.1 (7)	C41—C42—C47—C49	93.5 (6)
C2—C3—C8—C10	155.1 (5)	C43—C42—C47—C49	−85.2 (6)
C4—C3—C8—C9	94.9 (6)	C41—C42—C47—C48	−142.5 (5)
C2—C3—C8—C9	−81.0 (6)	C43—C42—C47—C48	38.9 (8)
C2—C7—C11—C12	143.9 (5)	C45—C46—C50—C51	−22.8 (7)
C6—C7—C11—C12	−40.4 (7)	C41—C46—C50—C51	157.3 (5)
C2—C7—C11—C13	−93.6 (6)	C45—C46—C50—C52	101.9 (6)
C6—C7—C11—C13	82.1 (6)	C41—C46—C50—C52	−78.0 (6)
C14—N2—C15—C20	−68.2 (18)	C53—N5—C54—C59	155.2 (19)
C14—N2—C15—C16	111.3 (16)	C53—N5—C54—C55	−23 (2)
N2—C15—C16—C17	−177.7 (4)	C59—C54—C55—C56	2.6 (7)
C20—C15—C16—C17	1.8 (7)	N5—C54—C55—C56	−179.5 (4)
N2—C15—C16—C21	2.4 (7)	C59—C54—C55—C60	−177.8 (4)
C20—C15—C16—C21	−178.0 (5)	N5—C54—C55—C60	0.1 (6)
C15—C16—C17—C18	1.0 (8)	C54—C55—C56—C57	−0.4 (7)
C21—C16—C17—C18	−179.2 (5)	C60—C55—C56—C57	180.0 (5)
C16—C17—C18—C19	−2.5 (9)	C55—C56—C57—C58	−1.0 (8)
C17—C18—C19—C20	1.2 (9)	C56—C57—C58—C59	0.4 (8)
C18—C19—C20—C15	1.5 (8)	C57—C58—C59—C54	1.6 (8)
C18—C19—C20—C24	179.9 (5)	C57—C58—C59—C63	−178.7 (5)
N2—C15—C20—C19	176.5 (4)	N5—C54—C59—C58	179.0 (4)
C16—C15—C20—C19	−3.0 (7)	C55—C54—C59—C58	−3.2 (7)
N2—C15—C20—C24	−1.9 (7)	N5—C54—C59—C63	−0.8 (7)
C16—C15—C20—C24	178.6 (5)	C55—C54—C59—C63	177.1 (5)
C17—C16—C21—C22	−22.3 (8)	C56—C55—C60—C62	−30.7 (7)
C15—C16—C21—C22	157.6 (5)	C54—C55—C60—C62	149.7 (5)
C17—C16—C21—C23	103.0 (6)	C56—C55—C60—C61	94.3 (6)
C15—C16—C21—C23	−77.1 (6)	C54—C55—C60—C61	−85.3 (5)
C19—C20—C24—C26	−76.3 (7)	C58—C59—C63—C64	−84.3 (6)
C15—C20—C24—C26	102.0 (6)	C54—C59—C63—C64	95.4 (6)
C19—C20—C24—C25	49.4 (7)	C58—C59—C63—C65	40.6 (7)
C15—C20—C24—C25	−132.3 (5)	C54—C59—C63—C65	−139.6 (5)
N3—C28—C29—C30	178.8 (4)	N6—C67—C68—C69	−179.9 (4)
C33—C28—C29—C30	0.7 (7)	C72—C67—C68—C69	−0.3 (7)
N3—C28—C29—C34	−2.2 (7)	N6—C67—C68—C73	2.1 (7)
C33—C28—C29—C34	179.7 (4)	C72—C67—C68—C73	−178.3 (4)
C28—C29—C30—C31	−0.5 (7)	C67—C68—C69—C70	1.3 (8)
C34—C29—C30—C31	−179.5 (5)	C73—C68—C69—C70	179.3 (5)
C29—C30—C31—C32	0.5 (8)	C68—C69—C70—C71	−2.3 (8)
C30—C31—C32—C33	−0.6 (8)	C69—C70—C71—C72	2.2 (8)
C31—C32—C33—C28	0.8 (7)	C70—C71—C72—C67	−1.1 (7)
C31—C32—C33—C37	179.9 (5)	C70—C71—C72—C76	−180.0 (5)
N3—C28—C33—C32	−179.0 (4)	N6—C67—C72—C71	179.8 (4)
C29—C28—C33—C32	−0.8 (7)	C68—C67—C72—C71	0.2 (7)
N3—C28—C33—C37	1.9 (6)	N6—C67—C72—C76	−1.4 (7)
C29—C28—C33—C37	−179.9 (4)	C68—C67—C72—C76	179.0 (4)
C30—C29—C34—C36	94.7 (6)	C69—C68—C73—C74	103.0 (6)
C28—C29—C34—C36	−84.2 (6)	C67—C68—C73—C74	−79.1 (6)
C30—C29—C34—C35	−28.7 (7)	C69—C68—C73—C75	−21.2 (7)
C28—C29—C34—C35	152.4 (5)	C67—C68—C73—C75	156.7 (5)
C32—C33—C37—C39	29.4 (7)	C71—C72—C76—C77	31.8 (7)
C28—C33—C37—C39	−151.5 (5)	C67—C72—C76—C77	−147.0 (5)
C32—C33—C37—C38	−95.9 (5)	C71—C72—C76—C78	−92.8 (6)
C28—C33—C37—C38	83.1 (5)	C67—C72—C76—C78	88.4 (6)

Heptakis(2,6-diisopropylphenyl isocyanide-κC)tantalum hexakis(2,6-diisopropylphenyl isocyanide-κC)tantalate (2)

Crystal data

[Ta(C13H17N)7][Ta(C13H17N)6]	Z = 2
Mr = 2796.47	F(000) = 2944
Triclinic, P1	Dx = 1.170 Mg m^−3
a = 14.1843 (8) Å	Mo Kα radiation, λ = 0.71073 Å
b = 23.0484 (13) Å	Cell parameters from 4094 reflections
c = 25.2728 (14) Å	θ = 2.5–27.5°
α = 82.674 (1)°	µ = 1.43 mm^−1
β = 75.610 (1)°	T = 173 K
γ = 89.419 (1)°	Rhombohedral plate, red-brown
V = 7935.8 (8) Å^3	0.38 × 0.31 × 0.11 mm

Data collection

Siemens SMART platform CCD diffractometer	26396 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.035
ω scans	θmax = 27.5°, θmin = 0.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −18→18
Tmin = 0.757, Tmax = 1.000	k = −28→29
74364 measured reflections	l = −32→32
35571 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)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.078	H-atom parameters constrained
S = 1.03	w = 1/[σ^2(Fo^2) + (0.034P)^2 + 0.0515P] where P = (Fo^2 + 2Fc^2)/3
35571 reflections	(Δ/σ)max = 0.008
1749 parameters	Δρmax = 0.78 e Å^−3
52 restraints	Δρmin = −1.32 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. Reflection contributions from highly disordered solvent located in pockets were fixed and added to the calculated structure factors using the SQUEEZE routine of program Platon (Spek, 2015), which determined there to be 102 electrons in 490 ų treated this way per unit cell. The material had been in contact with both n-pentane and n-heptane, so the pocket may have contained one or the other or a mixture (the electron count suggests just heptane). No satisfactory solvent model was achieved. Because the exact identity and amount of solvent were unknown, no solvent was included in the atom list or molecular formula. Thus all calculated quantities that derive from the molecular formula (e.g., F(000), density, molecular weight, etc.) are known to be incorrect.

Several isopropyl groups of the anion are modeled as disordered over two positions each: C102-C104, 0.542 (6):0.458 (6), C128-C130, 0.568 (5):0.432 (5), C138-C140, 0.621 (5):0.379 (5), C151-C153, 0.821 (4):0.179 (4), C167-C169, 0.630 (9):0.370 (9).

For each disordered isopropyl group, analogous bond lengths and angles between the two positions were restrained to be similar. Anisotropic displacement parameters for proximal atoms were restrained to be similar and/or constrained to be equivalent. The disorder models for many of the isopropyl groups are approximations for the true extent of the disorder, as the central carbon atom of each group should be in the plane (or nearly so) of the bonded phenyl ring. However, the extension of such disorder models into the phenyl rings did not significantly improve the structure, plus the resulting two positions of each phenyl ring carbon atom were not based on distinct electron density found in the difference Fourier map due to resolution limitations.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ta1	0.76167 (2)	0.27648 (2)	0.29146 (2)	0.02498 (3)
C1	0.9076 (2)	0.31088 (12)	0.27125 (11)	0.0306 (6)
N1	0.98752 (18)	0.32970 (11)	0.25886 (10)	0.0393 (6)
C2	1.0769 (2)	0.35863 (15)	0.23465 (12)	0.0411 (8)
C3	1.1595 (2)	0.32497 (16)	0.21910 (14)	0.0486 (9)
C4	1.2457 (2)	0.35453 (19)	0.19156 (16)	0.0634 (11)
H4A	1.302815	0.332958	0.179666	0.076*
C5	1.2500 (3)	0.41505 (19)	0.18107 (16)	0.0665 (12)
H5A	1.309753	0.434591	0.161947	0.080*
C6	1.1685 (3)	0.44678 (18)	0.19819 (15)	0.0601 (11)
H6A	1.172826	0.488266	0.190968	0.072*
C7	1.0796 (2)	0.41998 (15)	0.22580 (13)	0.0457 (8)
C8	1.1528 (2)	0.25907 (17)	0.23004 (16)	0.0557 (10)
H8A	1.095967	0.248585	0.262296	0.067*
C9	1.1314 (3)	0.23388 (19)	0.18207 (19)	0.0846 (14)
H9A	1.123446	0.191274	0.190852	0.127*
H9B	1.185498	0.243483	0.149424	0.127*
H9C	1.071377	0.250467	0.174690	0.127*
C10	1.2422 (3)	0.2316 (2)	0.2457 (2)	0.0937 (16)
H10A	1.254259	0.249088	0.276830	0.141*
H10B	1.298989	0.238856	0.214139	0.141*
H10C	1.230836	0.189385	0.256024	0.141*
C11	0.9889 (3)	0.45446 (15)	0.24525 (13)	0.0488 (8)
H11A	0.933318	0.433321	0.237804	0.059*
C12	0.9936 (3)	0.51627 (17)	0.21483 (17)	0.0734 (12)
H12A	0.933031	0.536202	0.229191	0.110*
H12B	1.002035	0.514388	0.175413	0.110*
H12C	1.048721	0.537956	0.220340	0.110*
C13	0.9660 (3)	0.45666 (19)	0.30733 (15)	0.0741 (12)
H13A	0.904068	0.476200	0.319126	0.111*
H13B	1.018082	0.478437	0.315977	0.111*
H13C	0.961284	0.416741	0.326693	0.111*
C14	0.7739 (2)	0.35389 (13)	0.23526 (11)	0.0314 (6)
N2	0.77979 (18)	0.39678 (11)	0.20427 (10)	0.0372 (6)
C15	0.8068 (2)	0.43903 (13)	0.15806 (12)	0.0351 (7)
C16	0.8869 (2)	0.42860 (13)	0.11554 (12)	0.0372 (7)
C17	0.9077 (2)	0.47005 (14)	0.06916 (13)	0.0461 (8)
H17A	0.961190	0.464521	0.039213	0.055*
C18	0.8519 (3)	0.51932 (15)	0.06568 (14)	0.0494 (9)
H18A	0.866265	0.546573	0.033064	0.059*
C19	0.7762 (3)	0.52903 (14)	0.10898 (14)	0.0479 (8)
H19A	0.739956	0.563705	0.106265	0.057*
C20	0.7511 (2)	0.48959 (14)	0.15662 (13)	0.0403 (7)
C21	0.9469 (2)	0.37413 (15)	0.11998 (13)	0.0453 (8)
H21A	0.943843	0.362598	0.159892	0.054*
C22	1.0544 (2)	0.38457 (17)	0.08964 (14)	0.0583 (10)
H22A	1.092145	0.351079	0.099949	0.088*
H22B	1.078780	0.420126	0.099771	0.088*
H22C	1.060925	0.389172	0.049792	0.088*
C23	0.9037 (3)	0.32352 (16)	0.09978 (17)	0.0658 (11)
H23A	0.943572	0.288885	0.103028	0.099*
H23B	0.902659	0.334254	0.061151	0.099*
H23C	0.837195	0.314834	0.122165	0.099*
C24	0.6682 (3)	0.49855 (16)	0.20529 (14)	0.0521 (9)
H24A	0.632146	0.460277	0.218355	0.063*
C25	0.5956 (3)	0.54356 (18)	0.18982 (18)	0.0766 (13)
H25A	0.537431	0.542640	0.220468	0.115*
H25B	0.577251	0.533981	0.156996	0.115*
H25C	0.625975	0.582753	0.182135	0.115*
C26	0.7048 (3)	0.51591 (19)	0.25305 (15)	0.0706 (12)
H26A	0.649574	0.518031	0.284896	0.106*
H26B	0.738179	0.554206	0.242073	0.106*
H26C	0.750312	0.486651	0.262872	0.106*
C27	0.6880 (2)	0.25863 (12)	0.22881 (11)	0.0310 (6)
N3	0.64095 (17)	0.25046 (11)	0.19860 (9)	0.0356 (6)
C28	0.5781 (2)	0.24418 (15)	0.16457 (12)	0.0400 (8)
C29	0.5638 (2)	0.29263 (16)	0.12796 (13)	0.0470 (8)
C30	0.4973 (3)	0.28582 (18)	0.09674 (15)	0.0652 (11)
H30A	0.484442	0.318024	0.072276	0.078*
C31	0.4500 (3)	0.2331 (2)	0.10093 (17)	0.0798 (14)
H31A	0.404991	0.229196	0.079285	0.096*
C32	0.4674 (3)	0.18520 (17)	0.13652 (15)	0.0647 (11)
H32A	0.434933	0.148827	0.138517	0.078*
C33	0.5318 (2)	0.19031 (16)	0.16911 (13)	0.0479 (9)
C34	0.6141 (2)	0.35119 (15)	0.12265 (13)	0.0451 (8)
H34A	0.660511	0.347436	0.146840	0.054*
C35	0.6714 (3)	0.37137 (19)	0.06402 (15)	0.0721 (12)
H35A	0.704270	0.408902	0.062702	0.108*
H35B	0.626877	0.376034	0.039746	0.108*
H35C	0.719940	0.342190	0.051761	0.108*
C36	0.5399 (3)	0.3972 (2)	0.1421 (2)	0.0885 (15)
H36A	0.573574	0.434875	0.139158	0.133*
H36B	0.505169	0.385181	0.180579	0.133*
H36C	0.493222	0.401245	0.119122	0.133*
C37	0.5451 (2)	0.13926 (15)	0.21082 (13)	0.0439 (8)
H37A	0.610138	0.144392	0.218466	0.053*
C38	0.4672 (3)	0.14115 (17)	0.26484 (13)	0.0567 (10)
H38A	0.478134	0.109764	0.292562	0.085*
H38B	0.402612	0.135841	0.258540	0.085*
H38C	0.471208	0.179056	0.277953	0.085*
C39	0.5428 (3)	0.07981 (16)	0.19014 (15)	0.0596 (10)
H39A	0.563933	0.049538	0.215360	0.089*
H39B	0.586646	0.081247	0.153274	0.089*
H39C	0.476348	0.070582	0.188530	0.089*
C40	0.8475 (2)	0.20126 (13)	0.26610 (11)	0.0298 (6)
N4	0.88968 (17)	0.15861 (11)	0.25674 (10)	0.0351 (6)
C41	0.9299 (2)	0.10383 (13)	0.24806 (13)	0.0414 (8)
C42	0.9072 (2)	0.07629 (16)	0.20630 (15)	0.0525 (9)
C43	0.9405 (3)	0.01965 (17)	0.20194 (18)	0.0682 (12)
H43A	0.926834	−0.000723	0.174192	0.082*
C44	0.9924 (3)	−0.00740 (17)	0.2367 (2)	0.0759 (14)
H44A	1.011855	−0.046651	0.233718	0.091*
C45	1.0168 (3)	0.02192 (17)	0.27629 (18)	0.0685 (12)
H45A	1.054628	0.002929	0.299296	0.082*
C46	0.9863 (2)	0.07941 (15)	0.28272 (14)	0.0502 (9)
C47	0.8559 (3)	0.11003 (18)	0.16588 (17)	0.0669 (11)
H47A	0.801938	0.131970	0.187782	0.080*
C48	0.9252 (3)	0.15519 (19)	0.12524 (17)	0.0791 (13)
H48A	0.953444	0.180721	0.145726	0.119*
H48B	0.889092	0.178774	0.102151	0.119*
H48C	0.977366	0.134926	0.101884	0.119*
C49	0.8114 (4)	0.0725 (2)	0.1332 (2)	0.1104 (19)
H49A	0.772487	0.096930	0.112377	0.166*
H49B	0.769612	0.041955	0.158388	0.166*
H49C	0.863295	0.054417	0.107614	0.166*
C50	1.0136 (3)	0.11411 (18)	0.32463 (15)	0.0589 (10)
H50A	1.021630	0.155964	0.307654	0.071*
C51	0.9316 (3)	0.1115 (2)	0.37613 (17)	0.0835 (14)
H51A	0.870417	0.121213	0.365996	0.125*
H51B	0.945028	0.139674	0.399442	0.125*
H51C	0.926111	0.071996	0.396365	0.125*
C52	1.1081 (3)	0.0971 (2)	0.3392 (2)	0.0989 (17)
H52A	1.159195	0.095129	0.305330	0.148*
H52B	1.099661	0.058832	0.361809	0.148*
H52C	1.126727	0.126446	0.359820	0.148*
C53	0.7971 (2)	0.27179 (12)	0.37110 (11)	0.0298 (6)
N5	0.81315 (17)	0.26681 (11)	0.41439 (9)	0.0352 (6)
C54	0.8323 (2)	0.26071 (13)	0.46650 (11)	0.0368 (7)
C55	0.7687 (2)	0.22512 (13)	0.50965 (12)	0.0394 (7)
C56	0.7905 (2)	0.21970 (14)	0.56100 (12)	0.0433 (8)
H56A	0.750660	0.195101	0.591126	0.052*
C57	0.8690 (3)	0.24963 (15)	0.56862 (13)	0.0496 (9)
H57A	0.881710	0.245914	0.604068	0.060*
C58	0.9291 (3)	0.28465 (15)	0.52564 (13)	0.0473 (8)
H58A	0.982537	0.304828	0.531919	0.057*
C59	0.9131 (2)	0.29116 (14)	0.47308 (12)	0.0401 (7)
C60	0.6826 (2)	0.19280 (15)	0.50048 (13)	0.0469 (8)
H60A	0.660699	0.216571	0.469948	0.056*
C61	0.5952 (3)	0.1846 (2)	0.55086 (18)	0.1020 (18)
H61A	0.575355	0.222834	0.562431	0.153*
H61B	0.613415	0.159779	0.581056	0.153*
H61C	0.540942	0.165995	0.541290	0.153*
C62	0.7124 (4)	0.13468 (19)	0.4822 (2)	0.0969 (17)
H62A	0.657462	0.116057	0.473303	0.145*
H62B	0.731929	0.109716	0.511898	0.145*
H62C	0.767224	0.140160	0.449518	0.145*
C63	0.9806 (3)	0.32682 (16)	0.42402 (14)	0.0521 (9)
H63A	0.939392	0.344709	0.399661	0.063*
C64	1.0338 (3)	0.37697 (19)	0.43930 (18)	0.0863 (14)
H64A	1.070164	0.400861	0.405656	0.129*
H64B	1.079094	0.360993	0.460795	0.129*
H64C	0.986378	0.401258	0.461275	0.129*
C65	1.0531 (3)	0.28695 (19)	0.39031 (16)	0.0729 (12)
H65A	1.094449	0.310513	0.358013	0.109*
H65B	1.017181	0.257201	0.378255	0.109*
H65C	1.093861	0.267769	0.413219	0.109*
C66	0.6522 (2)	0.33210 (13)	0.33266 (11)	0.0309 (6)
N6	0.59003 (18)	0.36067 (11)	0.35497 (10)	0.0378 (6)
C67	0.5212 (2)	0.39278 (13)	0.38862 (12)	0.0390 (7)
C68	0.5342 (2)	0.39957 (15)	0.44016 (13)	0.0466 (8)
C69	0.4627 (3)	0.43066 (17)	0.47302 (15)	0.0644 (11)
H69A	0.467499	0.436076	0.508914	0.077*
C70	0.3854 (3)	0.45360 (19)	0.45399 (17)	0.0732 (13)
H70A	0.337934	0.474925	0.476929	0.088*
C71	0.3756 (3)	0.44629 (17)	0.40289 (16)	0.0629 (11)
H71A	0.321534	0.462636	0.390918	0.076*
C72	0.4433 (2)	0.41534 (15)	0.36795 (13)	0.0455 (8)
C73	0.6219 (3)	0.37502 (17)	0.45835 (14)	0.0548 (10)
H73A	0.635501	0.336479	0.444081	0.066*
C74	0.7105 (3)	0.41423 (19)	0.43296 (17)	0.0708 (12)
H74A	0.767571	0.396126	0.442954	0.106*
H74B	0.700084	0.452273	0.446680	0.106*
H74C	0.721420	0.419713	0.392787	0.106*
C75	0.6046 (3)	0.3637 (2)	0.52115 (16)	0.0863 (15)
H75A	0.662856	0.346693	0.530569	0.129*
H75B	0.549064	0.336530	0.536494	0.129*
H75C	0.590919	0.400736	0.536543	0.129*
C76	0.4350 (3)	0.40593 (16)	0.31091 (15)	0.0537 (9)
H76A	0.502267	0.408619	0.286173	0.064*
C77	0.3744 (3)	0.45188 (19)	0.28615 (17)	0.0800 (13)
H77A	0.395842	0.491016	0.290171	0.120*
H77B	0.305545	0.445656	0.305408	0.120*
H77C	0.382971	0.448477	0.246991	0.120*
C78	0.3945 (3)	0.34502 (18)	0.31171 (19)	0.0837 (14)
H78A	0.393149	0.338881	0.274247	0.126*
H78B	0.328338	0.341003	0.335591	0.126*
H78C	0.436016	0.315844	0.325816	0.126*
C79	0.6538 (2)	0.20699 (13)	0.33817 (11)	0.0328 (7)
N7	0.59960 (17)	0.17073 (11)	0.36325 (9)	0.0350 (6)
C80	0.5369 (2)	0.12547 (14)	0.39381 (11)	0.0345 (7)
C81	0.4422 (2)	0.13971 (15)	0.42038 (12)	0.0419 (8)
C82	0.3831 (2)	0.09366 (17)	0.45160 (13)	0.0495 (9)
H82A	0.318588	0.101296	0.470904	0.059*
C83	0.4155 (2)	0.03755 (17)	0.45520 (13)	0.0529 (9)
H83A	0.373686	0.006892	0.477027	0.063*
C84	0.5084 (2)	0.02525 (15)	0.42744 (13)	0.0458 (8)
H84A	0.529245	−0.014080	0.430040	0.055*
C85	0.5724 (2)	0.06882 (14)	0.39569 (12)	0.0374 (7)
C86	0.4068 (2)	0.20226 (17)	0.41443 (16)	0.0562 (10)
H86A	0.447656	0.222321	0.378819	0.067*
C87	0.4243 (5)	0.2349 (2)	0.4588 (2)	0.133 (2)
H87A	0.490007	0.227231	0.463413	0.200*
H87B	0.376380	0.221944	0.493453	0.200*
H87C	0.417861	0.276955	0.448474	0.200*
C88	0.3033 (3)	0.2053 (2)	0.4100 (2)	0.117 (2)
H88A	0.295728	0.183281	0.380518	0.175*
H88B	0.286764	0.246220	0.401513	0.175*
H88C	0.259948	0.188319	0.444978	0.175*
C89	0.6740 (2)	0.05574 (14)	0.36334 (12)	0.0414 (8)
H89A	0.714585	0.092363	0.357106	0.050*
C90	0.7238 (2)	0.00771 (16)	0.39327 (14)	0.0540 (9)
H90A	0.790514	0.003489	0.371529	0.081*
H90B	0.687577	−0.029366	0.398045	0.081*
H90C	0.725243	0.018187	0.429448	0.081*
C91	0.6703 (3)	0.04001 (19)	0.30698 (14)	0.0643 (11)
H91A	0.735179	0.028868	0.287337	0.097*
H91B	0.649030	0.073891	0.285623	0.097*
H91C	0.624259	0.007184	0.311801	0.097*
Ta2	0.87700 (2)	0.20260 (2)	0.76567 (2)	0.02690 (3)
C92	0.8595 (2)	0.26688 (14)	0.81903 (12)	0.0367 (7)
N8	0.8433 (2)	0.30468 (13)	0.84745 (12)	0.0564 (8)
C93	0.8404 (2)	0.34992 (14)	0.87789 (13)	0.0423 (8)
C94	0.9189 (3)	0.35909 (15)	0.90083 (14)	0.0494 (9)
C95	0.9122 (3)	0.40504 (17)	0.93123 (16)	0.0641 (11)
H95A	0.963949	0.412380	0.947364	0.077*
C96	0.8331 (3)	0.44062 (16)	0.93900 (15)	0.0645 (11)
H96A	0.830919	0.472302	0.959891	0.077*
C97	0.7579 (3)	0.43043 (15)	0.91672 (14)	0.0553 (9)
H97A	0.703649	0.455481	0.922223	0.066*
C98	0.7580 (2)	0.38479 (14)	0.88639 (14)	0.0465 (8)
C99	1.0056 (3)	0.31943 (18)	0.88991 (19)	0.0737 (12)
H99A	0.979608	0.279193	0.890203	0.088*
C100	1.0720 (3)	0.3375 (2)	0.8323 (2)	0.121 (2)
H10D	1.120353	0.307325	0.823246	0.182*
H10E	1.105398	0.374735	0.831758	0.182*
H10F	1.032832	0.342153	0.805208	0.182*
C101	1.0620 (4)	0.3156 (2)	0.9346 (3)	0.126 (2)
H10G	1.114571	0.287680	0.926692	0.189*
H10H	1.017767	0.302493	0.970549	0.189*
H10I	1.089637	0.354255	0.935192	0.189*
C103	0.6791 (7)	0.3963 (5)	0.8110 (4)	0.091 (3)	0.542 (6)
H10J	0.742769	0.386731	0.788486	0.136*	0.542 (6)
H10K	0.627601	0.382069	0.795937	0.136*	0.542 (6)
H10L	0.674858	0.438835	0.810536	0.136*	0.542 (6)
C102	0.6668 (6)	0.3674 (6)	0.8697 (4)	0.057 (2)	0.542 (6)
H102	0.667752	0.324109	0.869073	0.069*	0.542 (6)
C104	0.5693 (6)	0.3817 (6)	0.9048 (4)	0.118 (4)	0.542 (6)
H10M	0.562023	0.362867	0.942663	0.177*	0.542 (6)
H10N	0.564738	0.424212	0.904618	0.177*	0.542 (6)
H10O	0.517482	0.367446	0.890019	0.177*	0.542 (6)
C03'	0.6397 (9)	0.4289 (5)	0.8287 (6)	0.091 (3)	0.458 (6)
H03A	0.593886	0.417107	0.808556	0.136*	0.458 (6)
H03B	0.605288	0.450693	0.858348	0.136*	0.458 (6)
H03C	0.691541	0.453901	0.803416	0.136*	0.458 (6)
C02'	0.6839 (9)	0.3749 (7)	0.8531 (6)	0.057 (2)	0.458 (6)
H02'	0.716176	0.352471	0.822447	0.069*	0.458 (6)
C04'	0.6017 (9)	0.3358 (7)	0.8929 (5)	0.118 (4)	0.458 (6)
H04A	0.629768	0.300832	0.908854	0.177*	0.458 (6)
H04B	0.567216	0.357659	0.922490	0.177*	0.458 (6)
H04C	0.555915	0.324094	0.872665	0.177*	0.458 (6)
C105	0.7291 (2)	0.22421 (13)	0.76893 (11)	0.0329 (7)
N9	0.64723 (18)	0.23753 (12)	0.77626 (11)	0.0462 (7)
C106	0.5468 (2)	0.24499 (14)	0.78855 (12)	0.0386 (7)
C107	0.4880 (2)	0.21043 (15)	0.83467 (13)	0.0465 (8)
C108	0.3881 (2)	0.21838 (18)	0.84490 (16)	0.0624 (11)
H10Q	0.346106	0.195626	0.875516	0.075*
C109	0.3486 (3)	0.25846 (19)	0.81170 (17)	0.0714 (12)
H10R	0.280065	0.262754	0.819358	0.086*
C110	0.4087 (2)	0.29262 (16)	0.76706 (15)	0.0546 (9)
H11B	0.380633	0.320759	0.745017	0.066*
C111	0.5088 (2)	0.28648 (14)	0.75405 (13)	0.0406 (7)
C112	0.5327 (3)	0.16546 (16)	0.86968 (15)	0.0554 (9)
H11C	0.593586	0.183698	0.873993	0.066*
C113	0.5627 (3)	0.11140 (16)	0.84085 (17)	0.0642 (11)
H11D	0.590996	0.083023	0.864476	0.096*
H11E	0.610885	0.122769	0.805916	0.096*
H11F	0.505312	0.093710	0.833636	0.096*
C114	0.4678 (3)	0.1484 (2)	0.92754 (16)	0.0855 (14)
H11G	0.502830	0.121866	0.949101	0.128*
H11H	0.408401	0.128698	0.925119	0.128*
H11I	0.450607	0.183608	0.945518	0.128*
C115	0.5758 (2)	0.32023 (15)	0.70379 (13)	0.0453 (8)
H11J	0.635082	0.332182	0.714754	0.054*
C116	0.6089 (3)	0.27941 (18)	0.65883 (14)	0.0704 (12)
H11K	0.652795	0.301125	0.626330	0.106*
H11L	0.551808	0.265139	0.648638	0.106*
H11M	0.642970	0.246121	0.673055	0.106*
C117	0.5324 (3)	0.37543 (17)	0.68103 (16)	0.0653 (11)
H11N	0.580992	0.395907	0.649846	0.098*
H11O	0.512968	0.400979	0.709867	0.098*
H11P	0.475284	0.365051	0.668668	0.098*
C118	0.9395 (2)	0.27021 (13)	0.70179 (11)	0.0324 (7)
N10	0.9733 (2)	0.30944 (12)	0.66716 (11)	0.0504 (7)
C119	1.0201 (2)	0.35575 (14)	0.63099 (12)	0.0399 (7)
C120	0.9649 (2)	0.40020 (14)	0.60948 (14)	0.0454 (8)
C121	1.0143 (3)	0.44621 (15)	0.57382 (16)	0.0603 (10)
H12D	0.978402	0.476574	0.559388	0.072*
C122	1.1139 (3)	0.44957 (17)	0.55849 (17)	0.0697 (12)
H12E	1.146261	0.482010	0.533902	0.084*
C123	1.1668 (3)	0.40598 (17)	0.57874 (16)	0.0654 (11)
H12F	1.235821	0.408711	0.567661	0.079*
C124	1.1230 (2)	0.35845 (16)	0.61455 (14)	0.0505 (9)
C125	0.8547 (2)	0.39699 (17)	0.62734 (17)	0.0612 (10)
H12G	0.835351	0.354563	0.635492	0.073*
C126	0.8066 (3)	0.4239 (2)	0.5822 (2)	0.0958 (17)
H12H	0.830202	0.404698	0.549108	0.144*
H12I	0.822903	0.465811	0.573488	0.144*
H12J	0.735757	0.418390	0.595209	0.144*
C127	0.8197 (3)	0.4231 (3)	0.6806 (2)	0.132 (3)
H12K	0.748326	0.422893	0.690969	0.199*
H12L	0.844622	0.463479	0.675578	0.199*
H12M	0.843320	0.399956	0.709784	0.199*
C129	1.2763 (9)	0.3268 (6)	0.6458 (6)	0.138 (6)	0.568 (5)
H12N	1.309114	0.291972	0.658216	0.207*	0.568 (5)
H12O	1.318449	0.347521	0.612105	0.207*	0.568 (5)
H12P	1.262334	0.352677	0.674568	0.207*	0.568 (5)
C128	1.1807 (11)	0.3083 (5)	0.6341 (6)	0.0736 (15)	0.568 (5)
H128	1.139192	0.287409	0.669099	0.088*	0.568 (5)
C130	1.2022 (9)	0.2653 (4)	0.5918 (4)	0.134 (4)	0.568 (5)
H13D	1.239643	0.232866	0.604499	0.200*	0.568 (5)
H13E	1.140806	0.250129	0.587275	0.200*	0.568 (5)
H13F	1.239953	0.285349	0.556444	0.200*	0.568 (5)
C29'	1.1844 (12)	0.3311 (5)	0.6969 (6)	0.134 (4)	0.432 (5)
H29A	1.220805	0.302309	0.715391	0.200*	0.432 (5)
H29B	1.217254	0.369529	0.690642	0.200*	0.432 (5)
H29C	1.118266	0.333485	0.720024	0.200*	0.432 (5)
C28'	1.1797 (15)	0.3124 (7)	0.6411 (7)	0.0736 (15)	0.432 (5)
H28'	1.144448	0.273824	0.647623	0.088*	0.432 (5)
C30'	1.2830 (12)	0.3068 (8)	0.6052 (7)	0.138 (6)	0.432 (5)
H30B	1.317302	0.276713	0.623672	0.207*	0.432 (5)
H30C	1.279415	0.295760	0.569533	0.207*	0.432 (5)
H30D	1.318183	0.344370	0.599385	0.207*	0.432 (5)
C131	0.8189 (2)	0.14062 (13)	0.83577 (12)	0.0347 (7)
N11	0.7877 (2)	0.10908 (12)	0.87745 (10)	0.0477 (7)
C132	0.7340 (2)	0.08534 (16)	0.92923 (13)	0.0488 (9)
C133	0.7025 (3)	0.1217 (2)	0.97007 (14)	0.0680 (12)
C134	0.6462 (3)	0.0958 (2)	1.02081 (16)	0.0817 (14)
H13G	0.623984	0.119371	1.049456	0.098*
C135	0.6223 (3)	0.0383 (2)	1.03043 (16)	0.0777 (14)
H13H	0.582856	0.022227	1.065310	0.093*
C136	0.6543 (3)	0.0028 (2)	0.99026 (17)	0.0741 (13)
H13I	0.637116	−0.037720	0.997649	0.089*
C137	0.7123 (3)	0.02564 (17)	0.93834 (13)	0.0533 (10)
C139	0.6412 (7)	0.2249 (4)	0.9917 (4)	0.111 (3)	0.621 (5)
H13J	0.577877	0.217524	0.984578	0.166*	0.621 (5)
H13K	0.637373	0.214066	1.030988	0.166*	0.621 (5)
H13L	0.658983	0.266523	0.981311	0.166*	0.621 (5)
C138	0.7181 (5)	0.1885 (3)	0.9579 (4)	0.069 (2)	0.621 (5)
H38D	0.721784	0.200608	0.918032	0.082*	0.621 (5)
C140	0.8168 (6)	0.1983 (4)	0.9675 (3)	0.091 (2)	0.621 (5)
H14A	0.864501	0.174376	0.945257	0.136*	0.621 (5)
H14B	0.836004	0.239739	0.956900	0.136*	0.621 (5)
H14C	0.814394	0.187282	1.006577	0.136*	0.621 (5)
C39'	0.6810 (11)	0.2294 (8)	0.9566 (6)	0.111 (3)	0.379 (5)
H39D	0.711374	0.268230	0.952734	0.166*	0.379 (5)
H39E	0.658882	0.225099	0.923559	0.166*	0.379 (5)
H39F	0.625283	0.224902	0.988900	0.166*	0.379 (5)
C38'	0.7568 (10)	0.1816 (4)	0.9642 (6)	0.069 (2)	0.379 (5)
H38E	0.812184	0.185174	0.930539	0.082*	0.379 (5)
C40'	0.7928 (10)	0.2007 (6)	1.0136 (5)	0.091 (2)	0.379 (5)
H40A	0.841734	0.173467	1.022512	0.136*	0.379 (5)
H40B	0.821548	0.240301	1.003241	0.136*	0.379 (5)
H40C	0.737464	0.200366	1.045871	0.136*	0.379 (5)
C141	0.7493 (3)	−0.01332 (18)	0.89457 (17)	0.0686 (12)
H14D	0.775639	0.012287	0.858952	0.082*
C142	0.6704 (3)	−0.0533 (2)	0.8866 (2)	0.0908 (15)
H14E	0.694854	−0.071233	0.852806	0.136*
H14F	0.612980	−0.030323	0.883663	0.136*
H14G	0.652669	−0.083973	0.918162	0.136*
C143	0.8309 (4)	−0.0512 (3)	0.9067 (3)	0.132 (2)
H14H	0.849322	−0.078166	0.878971	0.198*
H14I	0.809036	−0.073721	0.943318	0.198*
H14J	0.887205	−0.026419	0.905589	0.198*
C144	0.88012 (19)	0.14807 (12)	0.70360 (11)	0.0279 (6)
N12	0.88060 (18)	0.12124 (11)	0.66603 (9)	0.0372 (6)
C145	0.8576 (2)	0.08698 (12)	0.63020 (11)	0.0309 (6)
C146	0.7689 (2)	0.05521 (13)	0.64494 (12)	0.0359 (7)
C147	0.7511 (2)	0.01809 (15)	0.60889 (14)	0.0477 (8)
H14K	0.692063	−0.004302	0.618409	0.057*
C148	0.8178 (3)	0.01329 (15)	0.55955 (13)	0.0480 (8)
H14L	0.805401	−0.013283	0.536147	0.058*
C149	0.9021 (2)	0.04684 (14)	0.54422 (12)	0.0398 (7)
H14M	0.946108	0.044277	0.509528	0.048*
C150	0.9243 (2)	0.08471 (13)	0.57876 (11)	0.0319 (6)
C152	0.5896 (3)	0.0554 (3)	0.6957 (2)	0.0800 (18)	0.821 (4)
H15A	0.577678	0.084057	0.666068	0.120*	0.821 (4)
H15B	0.577241	0.015827	0.688251	0.120*	0.821 (4)
H15C	0.545968	0.062492	0.730853	0.120*	0.821 (4)
C151	0.6950 (4)	0.0612 (3)	0.6987 (2)	0.0456 (8)	0.821 (4)
H151	0.704292	0.101116	0.708488	0.055*	0.821 (4)
C153	0.7136 (3)	0.0169 (2)	0.74454 (16)	0.0637 (14)	0.821 (4)
H15D	0.665491	0.021240	0.779006	0.096*	0.821 (4)
H15E	0.708327	−0.022696	0.735170	0.096*	0.821 (4)
H15F	0.779180	0.023539	0.749053	0.096*	0.821 (4)
C52'	0.6361 (15)	0.1167 (10)	0.6917 (9)	0.0800 (18)	0.179 (4)
H52D	0.589520	0.121029	0.726709	0.120*	0.179 (4)
H52E	0.679361	0.151368	0.680133	0.120*	0.179 (4)
H52F	0.600774	0.112672	0.663556	0.120*	0.179 (4)
C51'	0.6963 (19)	0.0624 (10)	0.6989 (8)	0.0456 (8)	0.179 (4)
H51'	0.733450	0.067927	0.726857	0.055*	0.179 (4)
C53'	0.6261 (15)	0.0105 (9)	0.7216 (8)	0.0637 (14)	0.179 (4)
H53A	0.581645	0.018106	0.756281	0.096*	0.179 (4)
H53B	0.588585	0.004636	0.694872	0.096*	0.179 (4)
H53C	0.662977	−0.024764	0.728148	0.096*	0.179 (4)
C154	1.0170 (2)	0.12116 (15)	0.56268 (12)	0.0416 (8)
H15H	1.006642	0.154833	0.584678	0.050*
C155	1.0996 (2)	0.08495 (18)	0.57802 (15)	0.0615 (11)
H15I	1.158534	0.109643	0.570205	0.092*
H15J	1.112385	0.052096	0.556329	0.092*
H15K	1.080806	0.069941	0.617327	0.092*
C156	1.0455 (2)	0.14614 (17)	0.50181 (13)	0.0547 (9)
H15L	1.099339	0.174602	0.495273	0.082*
H15M	0.989525	0.165495	0.491651	0.082*
H15N	1.065988	0.114361	0.479434	0.082*
C157	1.0127 (2)	0.18049 (13)	0.78245 (11)	0.0353 (7)
N13	1.0862 (2)	0.16763 (12)	0.79629 (12)	0.0506 (7)
C158	1.1571 (2)	0.13425 (14)	0.81389 (16)	0.0502 (9)
C159	1.2453 (2)	0.12704 (15)	0.77485 (17)	0.0547 (10)
C160	1.3140 (3)	0.09210 (17)	0.7936 (2)	0.0751 (13)
H16A	1.374238	0.085936	0.768555	0.090*
C161	1.2975 (3)	0.0665 (2)	0.8468 (2)	0.0900 (17)
H16B	1.345511	0.042169	0.857724	0.108*
C162	1.2129 (3)	0.07528 (19)	0.8847 (2)	0.0808 (14)
H16C	1.203761	0.058185	0.921904	0.097*
C163	1.1400 (3)	0.10931 (17)	0.86888 (17)	0.0604 (10)
C164	1.2617 (3)	0.15699 (18)	0.71712 (17)	0.0618 (10)
H16D	1.235976	0.197415	0.719280	0.074*
C165	1.2038 (3)	0.1259 (2)	0.68467 (19)	0.0847 (14)
H16E	1.216539	0.145750	0.646829	0.127*
H16F	1.134097	0.127036	0.702319	0.127*
H16G	1.223819	0.085134	0.684136	0.127*
C166	1.3692 (3)	0.1630 (2)	0.6864 (2)	0.0890 (15)
H16H	1.376140	0.188232	0.651312	0.134*
H16I	1.394672	0.124304	0.679364	0.134*
H16J	1.405825	0.180402	0.708860	0.134*
C168	0.9850 (7)	0.0690 (4)	0.9289 (5)	0.091 (3)	0.630 (9)
H16K	0.926902	0.076483	0.957304	0.137*	0.630 (9)
H16L	0.965568	0.059344	0.896347	0.137*	0.630 (9)
H16M	1.019939	0.036111	0.943103	0.137*	0.630 (9)
C167	1.0514 (6)	0.1235 (5)	0.9130 (4)	0.062 (2)	0.630 (9)
H167	1.015742	0.154768	0.895179	0.075*	0.630 (9)
C169	1.0670 (8)	0.1449 (5)	0.9648 (4)	0.123 (3)	0.630 (9)
H16N	1.003773	0.152194	0.989222	0.184*	0.630 (9)
H16O	1.100835	0.115021	0.983907	0.184*	0.630 (9)
H16P	1.106294	0.181181	0.954775	0.184*	0.630 (9)
C68'	1.0126 (14)	0.0643 (8)	0.9537 (8)	0.091 (3)	0.370 (9)
H68A	0.947582	0.070478	0.976735	0.137*	0.370 (9)
H68B	1.012492	0.027473	0.938189	0.137*	0.370 (9)
H68C	1.060044	0.062586	0.976151	0.137*	0.370 (9)
C67'	1.0399 (9)	0.1147 (8)	0.9072 (7)	0.062 (2)	0.370 (9)
H67'	0.988192	0.122119	0.886637	0.075*	0.370 (9)
C69'	1.0660 (15)	0.1692 (8)	0.9294 (8)	0.123 (3)	0.370 (9)
H69B	1.008992	0.181159	0.956317	0.184*	0.370 (9)
H69C	1.119330	0.160600	0.947288	0.184*	0.370 (9)
H69D	1.086282	0.200974	0.898997	0.184*	0.370 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ta1	0.02471 (6)	0.02698 (7)	0.02365 (6)	0.00219 (5)	−0.00659 (5)	−0.00372 (5)
C1	0.0315 (16)	0.0328 (16)	0.0280 (14)	0.0007 (13)	−0.0101 (12)	−0.0004 (12)
N1	0.0339 (15)	0.0441 (16)	0.0407 (14)	−0.0047 (12)	−0.0156 (12)	0.0049 (12)
C2	0.0304 (16)	0.052 (2)	0.0398 (17)	−0.0100 (15)	−0.0135 (14)	0.0073 (15)
C3	0.0355 (18)	0.055 (2)	0.055 (2)	−0.0049 (17)	−0.0177 (16)	0.0078 (17)
C4	0.0330 (19)	0.079 (3)	0.074 (3)	−0.0066 (19)	−0.0137 (18)	0.010 (2)
C5	0.042 (2)	0.076 (3)	0.075 (3)	−0.022 (2)	−0.0162 (19)	0.019 (2)
C6	0.051 (2)	0.063 (3)	0.068 (2)	−0.025 (2)	−0.027 (2)	0.012 (2)
C7	0.0439 (19)	0.052 (2)	0.0428 (18)	−0.0146 (17)	−0.0199 (15)	0.0079 (16)
C8	0.0319 (18)	0.063 (3)	0.068 (2)	−0.0017 (17)	−0.0122 (17)	0.006 (2)
C9	0.094 (3)	0.067 (3)	0.095 (3)	−0.006 (3)	−0.027 (3)	−0.012 (3)
C10	0.066 (3)	0.072 (3)	0.142 (5)	0.015 (2)	−0.040 (3)	0.016 (3)
C11	0.051 (2)	0.045 (2)	0.050 (2)	−0.0099 (17)	−0.0167 (17)	0.0015 (16)
C12	0.076 (3)	0.053 (3)	0.083 (3)	−0.002 (2)	−0.015 (2)	0.013 (2)
C13	0.094 (3)	0.071 (3)	0.058 (2)	−0.012 (3)	−0.020 (2)	−0.006 (2)
C14	0.0299 (15)	0.0392 (18)	0.0263 (14)	0.0008 (13)	−0.0087 (12)	−0.0053 (13)
N2	0.0413 (15)	0.0359 (15)	0.0345 (13)	−0.0013 (12)	−0.0124 (11)	0.0015 (12)
C15	0.0441 (18)	0.0292 (16)	0.0352 (16)	−0.0037 (14)	−0.0182 (14)	0.0010 (13)
C16	0.0447 (18)	0.0361 (18)	0.0332 (16)	−0.0036 (15)	−0.0166 (14)	0.0003 (13)
C17	0.051 (2)	0.046 (2)	0.0393 (18)	−0.0052 (17)	−0.0108 (15)	0.0034 (15)
C18	0.060 (2)	0.046 (2)	0.0411 (19)	−0.0063 (18)	−0.0172 (17)	0.0101 (16)
C19	0.057 (2)	0.0350 (19)	0.055 (2)	0.0030 (16)	−0.0262 (18)	0.0054 (16)
C20	0.0456 (19)	0.0358 (18)	0.0435 (18)	−0.0007 (15)	−0.0191 (15)	−0.0039 (15)
C21	0.0459 (19)	0.047 (2)	0.0415 (18)	0.0022 (16)	−0.0118 (15)	0.0031 (16)
C22	0.049 (2)	0.063 (3)	0.057 (2)	0.0065 (19)	−0.0083 (18)	0.0036 (19)
C23	0.066 (3)	0.044 (2)	0.086 (3)	0.002 (2)	−0.015 (2)	−0.009 (2)
C24	0.057 (2)	0.044 (2)	0.054 (2)	0.0065 (18)	−0.0134 (18)	−0.0041 (17)
C25	0.082 (3)	0.066 (3)	0.085 (3)	0.029 (2)	−0.024 (2)	−0.019 (2)
C26	0.082 (3)	0.078 (3)	0.052 (2)	0.006 (2)	−0.013 (2)	−0.016 (2)
C27	0.0299 (15)	0.0338 (17)	0.0285 (14)	0.0031 (13)	−0.0077 (12)	−0.0003 (12)
N3	0.0326 (13)	0.0459 (16)	0.0303 (13)	−0.0028 (12)	−0.0112 (11)	−0.0059 (11)
C28	0.0336 (17)	0.056 (2)	0.0343 (16)	−0.0048 (15)	−0.0159 (13)	−0.0067 (15)
C29	0.0447 (19)	0.060 (2)	0.0400 (18)	−0.0076 (17)	−0.0191 (15)	−0.0037 (16)
C30	0.077 (3)	0.069 (3)	0.061 (2)	−0.020 (2)	−0.047 (2)	0.013 (2)
C31	0.089 (3)	0.091 (3)	0.076 (3)	−0.033 (3)	−0.063 (3)	0.015 (2)
C32	0.074 (3)	0.062 (3)	0.068 (2)	−0.027 (2)	−0.043 (2)	0.008 (2)
C33	0.0412 (19)	0.067 (2)	0.0385 (18)	−0.0099 (17)	−0.0178 (15)	−0.0016 (17)
C34	0.0454 (19)	0.052 (2)	0.0421 (18)	−0.0032 (17)	−0.0213 (15)	−0.0017 (16)
C35	0.074 (3)	0.086 (3)	0.055 (2)	−0.026 (2)	−0.020 (2)	0.006 (2)
C36	0.077 (3)	0.081 (3)	0.115 (4)	0.003 (3)	−0.027 (3)	−0.036 (3)
C37	0.0392 (18)	0.051 (2)	0.0450 (19)	−0.0056 (16)	−0.0180 (15)	−0.0047 (16)
C38	0.060 (2)	0.065 (3)	0.047 (2)	0.004 (2)	−0.0178 (18)	−0.0054 (18)
C39	0.070 (3)	0.062 (3)	0.053 (2)	−0.002 (2)	−0.0241 (19)	−0.0106 (19)
C40	0.0272 (14)	0.0369 (17)	0.0277 (14)	0.0026 (13)	−0.0094 (12)	−0.0078 (13)
N4	0.0358 (14)	0.0347 (15)	0.0347 (13)	0.0054 (12)	−0.0076 (11)	−0.0067 (11)
C41	0.0373 (18)	0.0301 (17)	0.052 (2)	0.0072 (14)	−0.0015 (15)	−0.0078 (15)
C42	0.043 (2)	0.051 (2)	0.062 (2)	−0.0012 (17)	−0.0020 (17)	−0.0218 (19)
C43	0.067 (3)	0.047 (2)	0.085 (3)	0.000 (2)	0.004 (2)	−0.029 (2)
C44	0.079 (3)	0.031 (2)	0.098 (3)	0.010 (2)	0.016 (3)	−0.009 (2)
C45	0.059 (2)	0.050 (2)	0.082 (3)	0.023 (2)	−0.002 (2)	0.011 (2)
C46	0.045 (2)	0.044 (2)	0.055 (2)	0.0105 (17)	−0.0019 (16)	−0.0013 (17)
C47	0.062 (3)	0.072 (3)	0.081 (3)	0.009 (2)	−0.029 (2)	−0.042 (2)
C48	0.100 (3)	0.072 (3)	0.072 (3)	−0.013 (3)	−0.041 (3)	0.004 (2)
C49	0.115 (4)	0.113 (5)	0.116 (4)	−0.030 (4)	−0.040 (4)	−0.038 (4)
C50	0.059 (2)	0.065 (3)	0.051 (2)	0.012 (2)	−0.0180 (19)	0.0051 (19)
C51	0.084 (3)	0.102 (4)	0.068 (3)	−0.020 (3)	−0.025 (2)	−0.008 (3)
C52	0.067 (3)	0.117 (4)	0.113 (4)	0.007 (3)	−0.041 (3)	0.020 (3)
C53	0.0303 (15)	0.0292 (16)	0.0281 (15)	0.0013 (12)	−0.0049 (12)	−0.0013 (12)
N5	0.0405 (14)	0.0365 (15)	0.0302 (13)	0.0055 (12)	−0.0123 (11)	−0.0041 (11)
C54	0.0459 (18)	0.0406 (18)	0.0279 (15)	0.0134 (15)	−0.0143 (13)	−0.0103 (13)
C55	0.0506 (19)	0.0358 (18)	0.0353 (16)	0.0126 (15)	−0.0161 (15)	−0.0073 (14)
C56	0.058 (2)	0.044 (2)	0.0299 (16)	0.0148 (17)	−0.0130 (15)	−0.0078 (14)
C57	0.067 (2)	0.054 (2)	0.0351 (18)	0.0246 (19)	−0.0241 (17)	−0.0135 (16)
C58	0.057 (2)	0.047 (2)	0.048 (2)	0.0098 (17)	−0.0283 (17)	−0.0136 (17)
C59	0.0468 (19)	0.0391 (18)	0.0385 (17)	0.0096 (15)	−0.0176 (15)	−0.0075 (14)
C60	0.059 (2)	0.046 (2)	0.0380 (18)	0.0004 (17)	−0.0183 (16)	−0.0013 (15)
C61	0.087 (3)	0.144 (5)	0.067 (3)	−0.054 (3)	0.005 (3)	−0.024 (3)
C62	0.110 (4)	0.064 (3)	0.147 (5)	0.014 (3)	−0.076 (4)	−0.042 (3)
C63	0.053 (2)	0.056 (2)	0.051 (2)	0.0025 (18)	−0.0238 (17)	−0.0001 (18)
C64	0.100 (4)	0.078 (3)	0.085 (3)	−0.032 (3)	−0.032 (3)	−0.002 (3)
C65	0.066 (3)	0.085 (3)	0.058 (2)	0.008 (2)	−0.005 (2)	0.005 (2)
C66	0.0361 (16)	0.0323 (16)	0.0260 (14)	0.0044 (13)	−0.0122 (12)	−0.0015 (12)
N6	0.0379 (14)	0.0384 (15)	0.0366 (14)	0.0094 (12)	−0.0067 (11)	−0.0091 (12)
C67	0.0392 (17)	0.0365 (18)	0.0375 (17)	0.0080 (14)	−0.0006 (14)	−0.0094 (14)
C68	0.053 (2)	0.042 (2)	0.0394 (18)	0.0062 (16)	0.0001 (15)	−0.0083 (15)
C69	0.077 (3)	0.066 (3)	0.045 (2)	0.017 (2)	−0.002 (2)	−0.0179 (19)
C70	0.059 (3)	0.079 (3)	0.069 (3)	0.027 (2)	0.012 (2)	−0.022 (2)
C71	0.044 (2)	0.072 (3)	0.068 (3)	0.023 (2)	−0.0033 (19)	−0.011 (2)
C72	0.0394 (18)	0.043 (2)	0.051 (2)	0.0112 (16)	−0.0063 (15)	−0.0064 (16)
C73	0.067 (2)	0.061 (2)	0.044 (2)	0.016 (2)	−0.0210 (18)	−0.0165 (18)
C74	0.059 (3)	0.081 (3)	0.082 (3)	0.012 (2)	−0.028 (2)	−0.027 (2)
C75	0.111 (4)	0.102 (4)	0.054 (3)	0.022 (3)	−0.034 (3)	−0.012 (2)
C76	0.054 (2)	0.052 (2)	0.061 (2)	0.0121 (18)	−0.0247 (18)	−0.0100 (19)
C77	0.096 (3)	0.072 (3)	0.079 (3)	0.033 (3)	−0.038 (3)	−0.005 (2)
C78	0.105 (4)	0.065 (3)	0.097 (3)	0.000 (3)	−0.054 (3)	−0.009 (3)
C79	0.0345 (16)	0.0345 (17)	0.0293 (15)	0.0049 (14)	−0.0056 (13)	−0.0088 (13)
N7	0.0286 (13)	0.0422 (15)	0.0323 (13)	−0.0008 (12)	−0.0050 (11)	−0.0026 (12)
C80	0.0264 (15)	0.0460 (19)	0.0281 (15)	−0.0078 (14)	−0.0050 (12)	0.0030 (13)
C81	0.0311 (16)	0.055 (2)	0.0372 (17)	−0.0023 (15)	−0.0057 (13)	−0.0033 (15)
C82	0.0296 (17)	0.071 (3)	0.0417 (18)	−0.0113 (17)	−0.0013 (14)	0.0029 (18)
C83	0.042 (2)	0.065 (3)	0.0460 (19)	−0.0217 (18)	−0.0114 (16)	0.0166 (18)
C84	0.047 (2)	0.043 (2)	0.0470 (19)	−0.0122 (16)	−0.0179 (16)	0.0110 (16)
C85	0.0343 (17)	0.0443 (19)	0.0334 (16)	−0.0055 (14)	−0.0115 (13)	0.0020 (14)
C86	0.0359 (19)	0.060 (2)	0.063 (2)	0.0072 (18)	0.0022 (17)	−0.004 (2)
C87	0.206 (7)	0.086 (4)	0.133 (5)	0.050 (4)	−0.074 (5)	−0.047 (4)
C88	0.040 (2)	0.102 (4)	0.187 (6)	0.011 (3)	−0.015 (3)	0.034 (4)
C89	0.0345 (17)	0.0418 (19)	0.0459 (18)	0.0000 (15)	−0.0093 (14)	0.0003 (15)
C90	0.050 (2)	0.063 (2)	0.050 (2)	0.0125 (18)	−0.0165 (17)	−0.0035 (18)
C91	0.053 (2)	0.095 (3)	0.043 (2)	0.014 (2)	−0.0097 (17)	−0.004 (2)
Ta2	0.02716 (7)	0.02841 (7)	0.02530 (6)	0.00352 (5)	−0.00645 (5)	−0.00444 (5)
C92	0.0331 (16)	0.0364 (18)	0.0384 (17)	0.0027 (14)	−0.0043 (13)	−0.0056 (14)
N8	0.072 (2)	0.0393 (17)	0.0593 (19)	0.0046 (15)	−0.0115 (16)	−0.0213 (15)
C93	0.051 (2)	0.0322 (18)	0.0403 (18)	0.0000 (15)	−0.0031 (15)	−0.0101 (14)
C94	0.054 (2)	0.0357 (19)	0.056 (2)	−0.0058 (17)	−0.0119 (17)	0.0001 (16)
C95	0.086 (3)	0.048 (2)	0.069 (3)	−0.014 (2)	−0.039 (2)	−0.004 (2)
C96	0.108 (3)	0.038 (2)	0.051 (2)	−0.001 (2)	−0.020 (2)	−0.0185 (18)
C97	0.068 (3)	0.038 (2)	0.056 (2)	0.0134 (18)	−0.0055 (19)	−0.0123 (17)
C98	0.049 (2)	0.0354 (19)	0.056 (2)	0.0000 (16)	−0.0109 (17)	−0.0114 (16)
C99	0.054 (2)	0.054 (3)	0.108 (3)	0.003 (2)	−0.023 (2)	0.013 (2)
C100	0.057 (3)	0.092 (4)	0.170 (5)	0.028 (3)	0.027 (3)	0.036 (4)
C101	0.094 (4)	0.084 (4)	0.217 (7)	0.006 (3)	−0.089 (4)	0.014 (4)
C103	0.087 (7)	0.097 (8)	0.104 (7)	−0.011 (5)	−0.053 (6)	−0.011 (5)
C102	0.043 (4)	0.054 (4)	0.066 (7)	−0.007 (3)	−0.002 (5)	0.003 (5)
C104	0.058 (5)	0.193 (14)	0.091 (6)	0.004 (6)	−0.012 (4)	0.012 (8)
C03'	0.087 (7)	0.097 (8)	0.104 (7)	−0.011 (5)	−0.053 (6)	−0.011 (5)
C02'	0.043 (4)	0.054 (4)	0.066 (7)	−0.007 (3)	−0.002 (5)	0.003 (5)
C04'	0.058 (5)	0.193 (14)	0.091 (6)	0.004 (6)	−0.012 (4)	0.012 (8)
C105	0.0347 (17)	0.0339 (17)	0.0305 (15)	−0.0032 (13)	−0.0088 (13)	−0.0046 (13)
N9	0.0278 (14)	0.0563 (19)	0.0554 (17)	0.0042 (13)	−0.0092 (12)	−0.0133 (14)
C106	0.0290 (16)	0.0449 (19)	0.0431 (18)	0.0072 (14)	−0.0054 (13)	−0.0174 (15)
C107	0.0398 (19)	0.052 (2)	0.0456 (19)	0.0052 (16)	−0.0049 (15)	−0.0117 (16)
C108	0.0332 (19)	0.074 (3)	0.065 (2)	0.0092 (19)	0.0072 (17)	0.007 (2)
C109	0.0300 (19)	0.085 (3)	0.084 (3)	0.016 (2)	0.0043 (19)	0.007 (2)
C110	0.0370 (19)	0.062 (2)	0.061 (2)	0.0165 (18)	−0.0092 (17)	−0.0036 (19)
C111	0.0335 (17)	0.047 (2)	0.0415 (17)	0.0044 (15)	−0.0051 (14)	−0.0168 (15)
C112	0.048 (2)	0.056 (2)	0.060 (2)	0.0021 (18)	−0.0141 (18)	0.0029 (19)
C113	0.049 (2)	0.052 (2)	0.091 (3)	0.0035 (19)	−0.021 (2)	−0.001 (2)
C114	0.086 (3)	0.099 (4)	0.060 (3)	0.007 (3)	−0.013 (2)	0.022 (3)
C115	0.0383 (18)	0.052 (2)	0.0443 (19)	0.0009 (16)	−0.0051 (15)	−0.0117 (16)
C116	0.074 (3)	0.082 (3)	0.042 (2)	0.014 (2)	0.0069 (19)	−0.006 (2)
C117	0.069 (3)	0.057 (3)	0.063 (2)	0.004 (2)	−0.008 (2)	0.001 (2)
C118	0.0288 (15)	0.0405 (18)	0.0313 (15)	−0.0005 (13)	−0.0128 (12)	−0.0064 (13)
N10	0.0628 (19)	0.0451 (17)	0.0432 (16)	−0.0197 (15)	−0.0164 (14)	0.0023 (14)
C119	0.0458 (19)	0.0374 (18)	0.0351 (16)	−0.0111 (15)	−0.0091 (14)	−0.0003 (14)
C120	0.0377 (18)	0.0379 (19)	0.060 (2)	−0.0029 (15)	−0.0110 (16)	−0.0072 (16)
C121	0.050 (2)	0.038 (2)	0.090 (3)	−0.0014 (17)	−0.023 (2)	0.012 (2)
C122	0.052 (2)	0.062 (3)	0.084 (3)	−0.018 (2)	−0.014 (2)	0.030 (2)
C123	0.0327 (19)	0.073 (3)	0.079 (3)	−0.0095 (19)	−0.0107 (18)	0.025 (2)
C124	0.045 (2)	0.054 (2)	0.053 (2)	−0.0028 (17)	−0.0183 (16)	0.0071 (17)
C125	0.040 (2)	0.052 (2)	0.090 (3)	−0.0069 (18)	−0.008 (2)	−0.016 (2)
C126	0.054 (3)	0.078 (3)	0.156 (5)	0.012 (2)	−0.038 (3)	0.005 (3)
C127	0.054 (3)	0.166 (6)	0.175 (6)	−0.021 (3)	0.025 (3)	−0.115 (5)
C129	0.086 (5)	0.110 (10)	0.233 (19)	0.012 (6)	−0.094 (12)	0.028 (10)
C128	0.058 (3)	0.071 (3)	0.094 (4)	0.004 (2)	−0.036 (3)	0.016 (3)
C130	0.194 (10)	0.091 (6)	0.160 (8)	0.064 (6)	−0.122 (8)	−0.028 (6)
C29'	0.194 (10)	0.091 (6)	0.160 (8)	0.064 (6)	−0.122 (8)	−0.028 (6)
C28'	0.058 (3)	0.071 (3)	0.094 (4)	0.004 (2)	−0.036 (3)	0.016 (3)
C30'	0.086 (5)	0.110 (10)	0.233 (19)	0.012 (6)	−0.094 (12)	0.028 (10)
C131	0.0348 (16)	0.0384 (18)	0.0309 (16)	0.0057 (14)	−0.0062 (13)	−0.0092 (14)
N11	0.0588 (18)	0.0473 (17)	0.0318 (14)	−0.0041 (14)	−0.0052 (13)	0.0031 (13)
C132	0.051 (2)	0.062 (2)	0.0313 (17)	−0.0041 (18)	−0.0117 (15)	0.0070 (16)
C133	0.076 (3)	0.084 (3)	0.035 (2)	0.003 (2)	−0.0007 (19)	0.001 (2)
C134	0.085 (3)	0.108 (4)	0.039 (2)	−0.003 (3)	0.003 (2)	0.004 (2)
C135	0.068 (3)	0.116 (4)	0.037 (2)	−0.017 (3)	−0.0051 (19)	0.018 (3)
C136	0.078 (3)	0.083 (3)	0.058 (3)	−0.034 (3)	−0.024 (2)	0.022 (2)
C137	0.055 (2)	0.066 (3)	0.0384 (18)	−0.0180 (19)	−0.0188 (16)	0.0108 (18)
C139	0.106 (7)	0.113 (6)	0.116 (8)	0.031 (5)	−0.006 (6)	−0.069 (7)
C138	0.085 (7)	0.064 (4)	0.048 (3)	0.039 (4)	0.001 (4)	−0.009 (3)
C140	0.103 (5)	0.094 (5)	0.075 (4)	−0.027 (4)	−0.029 (5)	0.007 (5)
C39'	0.106 (7)	0.113 (6)	0.116 (8)	0.031 (5)	−0.006 (6)	−0.069 (7)
C38'	0.085 (7)	0.064 (4)	0.048 (3)	0.039 (4)	0.001 (4)	−0.009 (3)
C40'	0.103 (5)	0.094 (5)	0.075 (4)	−0.027 (4)	−0.029 (5)	0.007 (5)
C141	0.084 (3)	0.057 (3)	0.064 (3)	−0.029 (2)	−0.025 (2)	0.011 (2)
C142	0.099 (4)	0.073 (3)	0.113 (4)	−0.014 (3)	−0.049 (3)	−0.010 (3)
C143	0.075 (4)	0.170 (6)	0.168 (6)	0.016 (4)	−0.036 (4)	−0.074 (5)
C144	0.0239 (14)	0.0289 (15)	0.0263 (14)	0.0011 (12)	0.0000 (11)	0.0007 (12)
N12	0.0422 (15)	0.0405 (15)	0.0268 (13)	−0.0002 (12)	−0.0027 (11)	−0.0081 (11)
C145	0.0372 (16)	0.0293 (16)	0.0276 (14)	0.0068 (13)	−0.0102 (12)	−0.0053 (12)
C146	0.0363 (17)	0.0366 (18)	0.0341 (16)	0.0048 (14)	−0.0098 (13)	−0.0001 (13)
C147	0.047 (2)	0.046 (2)	0.054 (2)	−0.0064 (16)	−0.0200 (17)	−0.0040 (17)
C148	0.061 (2)	0.046 (2)	0.046 (2)	0.0021 (18)	−0.0263 (18)	−0.0154 (16)
C149	0.0453 (19)	0.0458 (19)	0.0308 (16)	0.0123 (16)	−0.0105 (14)	−0.0129 (14)
C150	0.0349 (16)	0.0324 (16)	0.0289 (15)	0.0094 (13)	−0.0082 (12)	−0.0057 (12)
C152	0.043 (3)	0.125 (5)	0.062 (3)	0.009 (3)	−0.003 (2)	0.006 (3)
C151	0.0390 (18)	0.050 (2)	0.0394 (18)	−0.0005 (16)	0.0015 (14)	0.0016 (16)
C153	0.054 (3)	0.086 (4)	0.042 (2)	0.012 (3)	−0.003 (2)	0.009 (2)
C52'	0.043 (3)	0.125 (5)	0.062 (3)	0.009 (3)	−0.003 (2)	0.006 (3)
C51'	0.0390 (18)	0.050 (2)	0.0394 (18)	−0.0005 (16)	0.0015 (14)	0.0016 (16)
C53'	0.054 (3)	0.086 (4)	0.042 (2)	0.012 (3)	−0.003 (2)	0.009 (2)
C154	0.0349 (17)	0.056 (2)	0.0339 (16)	0.0018 (15)	−0.0064 (13)	−0.0081 (15)
C155	0.039 (2)	0.089 (3)	0.058 (2)	0.011 (2)	−0.0176 (17)	−0.006 (2)
C156	0.047 (2)	0.070 (3)	0.0391 (18)	0.0007 (19)	−0.0001 (15)	0.0012 (18)
C157	0.0426 (18)	0.0329 (17)	0.0326 (15)	0.0034 (14)	−0.0115 (13)	−0.0086 (13)
N13	0.0493 (17)	0.0505 (18)	0.0636 (19)	0.0133 (14)	−0.0332 (15)	−0.0133 (15)
C158	0.045 (2)	0.0386 (19)	0.081 (3)	0.0007 (16)	−0.0409 (19)	−0.0080 (18)
C159	0.0359 (19)	0.042 (2)	0.093 (3)	−0.0028 (16)	−0.029 (2)	−0.006 (2)
C160	0.036 (2)	0.060 (3)	0.128 (4)	0.0020 (19)	−0.030 (2)	0.010 (3)
C161	0.050 (3)	0.068 (3)	0.156 (5)	0.000 (2)	−0.054 (3)	0.026 (3)
C162	0.068 (3)	0.068 (3)	0.112 (4)	0.001 (2)	−0.051 (3)	0.021 (3)
C163	0.057 (2)	0.054 (2)	0.081 (3)	0.0070 (19)	−0.042 (2)	−0.003 (2)
C164	0.048 (2)	0.054 (2)	0.086 (3)	0.0045 (19)	−0.020 (2)	−0.015 (2)
C165	0.079 (3)	0.087 (3)	0.097 (3)	0.006 (3)	−0.024 (3)	−0.044 (3)
C166	0.056 (3)	0.082 (3)	0.118 (4)	0.002 (2)	−0.009 (3)	0.002 (3)
C168	0.078 (6)	0.089 (5)	0.103 (8)	0.004 (4)	−0.008 (5)	−0.029 (6)
C167	0.078 (3)	0.062 (4)	0.062 (3)	0.003 (3)	−0.042 (3)	−0.014 (3)
C169	0.177 (7)	0.121 (8)	0.093 (7)	0.023 (6)	−0.056 (7)	−0.059 (6)
C68'	0.078 (6)	0.089 (5)	0.103 (8)	0.004 (4)	−0.008 (5)	−0.029 (6)
C67'	0.078 (3)	0.062 (4)	0.062 (3)	0.003 (3)	−0.042 (3)	−0.014 (3)
C69'	0.177 (7)	0.121 (8)	0.093 (7)	0.023 (6)	−0.056 (7)	−0.059 (6)

Geometric parameters (Å, º)

Ta1—C14	2.114 (3)	C93—C94	1.407 (5)
Ta1—C1	2.140 (3)	C94—C95	1.375 (5)
Ta1—C66	2.153 (3)	C94—C99	1.516 (5)
Ta1—C40	2.179 (3)	C95—C96	1.372 (5)
Ta1—C53	2.182 (3)	C95—H95A	0.9500
Ta1—C27	2.183 (3)	C96—C97	1.360 (5)
Ta1—C79	2.229 (3)	C96—H96A	0.9500
C1—N1	1.171 (3)	C97—C98	1.378 (5)
N1—C2	1.398 (4)	C97—H97A	0.9500
C2—C3	1.400 (4)	C98—C102	1.528 (7)
C2—C7	1.403 (5)	C98—C02'	1.534 (8)
C3—C4	1.384 (5)	C99—C101	1.531 (6)
C3—C8	1.508 (5)	C99—C100	1.533 (6)
C4—C5	1.385 (5)	C99—H99A	1.0000
C4—H4A	0.9500	C100—H10D	0.9800
C5—C6	1.370 (5)	C100—H10E	0.9800
C5—H5A	0.9500	C100—H10F	0.9800
C6—C7	1.388 (4)	C101—H10G	0.9800
C6—H6A	0.9500	C101—H10H	0.9800
C7—C11	1.514 (5)	C101—H10I	0.9800
C8—C9	1.505 (5)	C103—C102	1.517 (10)
C8—C10	1.528 (5)	C103—H10J	0.9800
C8—H8A	1.0000	C103—H10K	0.9800
C9—H9A	0.9800	C103—H10L	0.9800
C9—H9B	0.9800	C102—C104	1.505 (11)
C9—H9C	0.9800	C102—H102	1.0000
C10—H10A	0.9800	C104—H10M	0.9800
C10—H10B	0.9800	C104—H10N	0.9800
C10—H10C	0.9800	C104—H10O	0.9800
C11—C12	1.524 (5)	C03'—C02'	1.519 (12)
C11—C13	1.529 (5)	C03'—H03A	0.9800
C11—H11A	1.0000	C03'—H03B	0.9800
C12—H12A	0.9800	C03'—H03C	0.9800
C12—H12B	0.9800	C02'—C04'	1.547 (12)
C12—H12C	0.9800	C02'—H02'	1.0000
C13—H13A	0.9800	C04'—H04A	0.9800
C13—H13B	0.9800	C04'—H04B	0.9800
C13—H13C	0.9800	C04'—H04C	0.9800
C14—N2	1.170 (3)	C105—N9	1.174 (4)
N2—C15	1.398 (4)	N9—C106	1.394 (4)
C15—C16	1.399 (4)	C106—C111	1.406 (4)
C15—C20	1.403 (4)	C106—C107	1.408 (4)
C16—C17	1.386 (4)	C107—C108	1.389 (4)
C16—C21	1.517 (4)	C107—C112	1.514 (5)
C17—C18	1.383 (4)	C108—C109	1.377 (5)
C17—H17A	0.9500	C108—H10Q	0.9500
C18—C19	1.369 (5)	C109—C110	1.388 (5)
C18—H18A	0.9500	C109—H10R	0.9500
C19—C20	1.385 (4)	C110—C111	1.386 (4)
C19—H19A	0.9500	C110—H11B	0.9500
C20—C24	1.509 (5)	C111—C115	1.511 (4)
C21—C23	1.522 (5)	C112—C113	1.527 (5)
C21—C22	1.533 (4)	C112—C114	1.527 (5)
C21—H21A	1.0000	C112—H11C	1.0000
C22—H22A	0.9800	C113—H11D	0.9800
C22—H22B	0.9800	C113—H11E	0.9800
C22—H22C	0.9800	C113—H11F	0.9800
C23—H23A	0.9800	C114—H11G	0.9800
C23—H23B	0.9800	C114—H11H	0.9800
C23—H23C	0.9800	C114—H11I	0.9800
C24—C26	1.525 (5)	C115—C117	1.517 (5)
C24—C25	1.538 (5)	C115—C116	1.548 (5)
C24—H24A	1.0000	C115—H11J	1.0000
C25—H25A	0.9800	C116—H11K	0.9800
C25—H25B	0.9800	C116—H11L	0.9800
C25—H25C	0.9800	C116—H11M	0.9800
C26—H26A	0.9800	C117—H11N	0.9800
C26—H26B	0.9800	C117—H11O	0.9800
C26—H26C	0.9800	C117—H11P	0.9800
C27—N3	1.165 (3)	C118—N10	1.188 (4)
N3—C28	1.404 (3)	N10—C119	1.371 (4)
C28—C33	1.388 (4)	C119—C124	1.414 (4)
C28—C29	1.403 (4)	C119—C120	1.419 (4)
C29—C30	1.394 (4)	C120—C121	1.373 (4)
C29—C34	1.508 (5)	C120—C125	1.514 (4)
C30—C31	1.374 (5)	C121—C122	1.369 (5)
C30—H30A	0.9500	C121—H12D	0.9500
C31—C32	1.392 (5)	C122—C123	1.370 (5)
C31—H31A	0.9500	C122—H12E	0.9500
C32—C33	1.389 (4)	C123—C124	1.373 (5)
C32—H32A	0.9500	C123—H12F	0.9500
C33—C37	1.520 (4)	C124—C128	1.512 (6)
C34—C35	1.518 (5)	C124—C28'	1.514 (8)
C34—C36	1.527 (5)	C125—C127	1.514 (6)
C34—H34A	1.0000	C125—C126	1.533 (5)
C35—H35A	0.9800	C125—H12G	1.0000
C35—H35B	0.9800	C126—H12H	0.9800
C35—H35C	0.9800	C126—H12I	0.9800
C36—H36A	0.9800	C126—H12J	0.9800
C36—H36B	0.9800	C127—H12K	0.9800
C36—H36C	0.9800	C127—H12L	0.9800
C37—C39	1.531 (5)	C127—H12M	0.9800
C37—C38	1.533 (4)	C129—C128	1.532 (11)
C37—H37A	1.0000	C129—H12N	0.9800
C38—H38A	0.9800	C129—H12O	0.9800
C38—H38B	0.9800	C129—H12P	0.9800
C38—H38C	0.9800	C128—C130	1.523 (12)
C39—H39A	0.9800	C128—H128	1.0000
C39—H39B	0.9800	C130—H13D	0.9800
C39—H39C	0.9800	C130—H13E	0.9800
C40—N4	1.165 (3)	C130—H13F	0.9800
N4—C41	1.400 (4)	C29'—C28'	1.543 (14)
C41—C46	1.392 (4)	C29'—H29A	0.9800
C41—C42	1.402 (5)	C29'—H29B	0.9800
C42—C43	1.392 (5)	C29'—H29C	0.9800
C42—C47	1.528 (5)	C28'—C30'	1.533 (13)
C43—C44	1.370 (6)	C28'—H28'	1.0000
C43—H43A	0.9500	C30'—H30B	0.9800
C44—C45	1.388 (6)	C30'—H30C	0.9800
C44—H44A	0.9500	C30'—H30D	0.9800
C45—C46	1.406 (5)	C131—N11	1.189 (4)
C45—H45A	0.9500	N11—C132	1.387 (4)
C46—C50	1.529 (5)	C132—C137	1.390 (5)
C47—C49	1.509 (5)	C132—C133	1.396 (5)
C47—C48	1.533 (5)	C133—C134	1.395 (5)
C47—H47A	1.0000	C133—C138	1.539 (7)
C48—H48A	0.9800	C133—C38'	1.560 (9)
C48—H48B	0.9800	C134—C135	1.347 (6)
C48—H48C	0.9800	C134—H13G	0.9500
C49—H49A	0.9800	C135—C136	1.372 (6)
C49—H49B	0.9800	C135—H13H	0.9500
C49—H49C	0.9800	C136—C137	1.405 (5)
C50—C51	1.510 (5)	C136—H13I	0.9500
C50—C52	1.511 (5)	C137—C141	1.504 (5)
C50—H50A	1.0000	C139—C138	1.525 (8)
C51—H51A	0.9800	C139—H13J	0.9800
C51—H51B	0.9800	C139—H13K	0.9800
C51—H51C	0.9800	C139—H13L	0.9800
C52—H52A	0.9800	C138—C140	1.503 (8)
C52—H52B	0.9800	C138—H38D	1.0000
C52—H52C	0.9800	C140—H14A	0.9800
C53—N5	1.163 (3)	C140—H14B	0.9800
N5—C54	1.399 (3)	C140—H14C	0.9800
C54—C55	1.405 (4)	C39'—C38'	1.558 (12)
C54—C59	1.405 (4)	C39'—H39D	0.9800
C55—C56	1.397 (4)	C39'—H39E	0.9800
C55—C60	1.518 (4)	C39'—H39F	0.9800
C56—C57	1.383 (5)	C38'—C40'	1.574 (12)
C56—H56A	0.9500	C38'—H38E	1.0000
C57—C58	1.374 (5)	C40'—H40A	0.9800
C57—H57A	0.9500	C40'—H40B	0.9800
C58—C59	1.392 (4)	C40'—H40C	0.9800
C58—H58A	0.9500	C141—C143	1.511 (6)
C59—C63	1.516 (4)	C141—C142	1.524 (5)
C60—C62	1.495 (5)	C141—H14D	1.0000
C60—C61	1.534 (5)	C142—H14E	0.9800
C60—H60A	1.0000	C142—H14F	0.9800
C61—H61A	0.9800	C142—H14G	0.9800
C61—H61B	0.9800	C143—H14H	0.9800
C61—H61C	0.9800	C143—H14I	0.9800
C62—H62A	0.9800	C143—H14J	0.9800
C62—H62B	0.9800	C144—N12	1.196 (3)
C62—H62C	0.9800	N12—C145	1.373 (4)
C63—C64	1.527 (5)	C145—C146	1.405 (4)
C63—C65	1.540 (5)	C145—C150	1.412 (4)
C63—H63A	1.0000	C146—C147	1.394 (4)
C64—H64A	0.9800	C146—C151	1.517 (4)
C64—H64B	0.9800	C146—C51'	1.518 (9)
C64—H64C	0.9800	C147—C148	1.382 (4)
C65—H65A	0.9800	C147—H14K	0.9500
C65—H65B	0.9800	C148—C149	1.374 (4)
C65—H65C	0.9800	C148—H14L	0.9500
C66—N6	1.168 (3)	C149—C150	1.400 (4)
N6—C67	1.399 (4)	C149—H14M	0.9500
C67—C68	1.388 (4)	C150—C154	1.506 (4)
C67—C72	1.403 (4)	C152—C151	1.525 (7)
C68—C69	1.396 (4)	C152—H15A	0.9800
C68—C73	1.511 (5)	C152—H15B	0.9800
C69—C70	1.379 (5)	C152—H15C	0.9800
C69—H69A	0.9500	C151—C153	1.517 (7)
C70—C71	1.364 (5)	C151—H151	1.0000
C70—H70A	0.9500	C153—H15D	0.9800
C71—C72	1.391 (4)	C153—H15E	0.9800
C71—H71A	0.9500	C153—H15F	0.9800
C72—C76	1.518 (5)	C52'—C51'	1.526 (17)
C73—C74	1.511 (5)	C52'—H52D	0.9800
C73—C75	1.533 (5)	C52'—H52E	0.9800
C73—H73A	1.0000	C52'—H52F	0.9800
C74—H74A	0.9800	C51'—C53'	1.523 (16)
C74—H74B	0.9800	C51'—H51'	1.0000
C74—H74C	0.9800	C53'—H53A	0.9800
C75—H75A	0.9800	C53'—H53B	0.9800
C75—H75B	0.9800	C53'—H53C	0.9800
C75—H75C	0.9800	C154—C156	1.527 (4)
C76—C78	1.518 (5)	C154—C155	1.531 (4)
C76—C77	1.527 (5)	C154—H15H	1.0000
C76—H76A	1.0000	C155—H15I	0.9800
C77—H77A	0.9800	C155—H15J	0.9800
C77—H77B	0.9800	C155—H15K	0.9800
C77—H77C	0.9800	C156—H15L	0.9800
C78—H78A	0.9800	C156—H15M	0.9800
C78—H78B	0.9800	C156—H15N	0.9800
C78—H78C	0.9800	C157—N13	1.203 (4)
C79—N7	1.152 (3)	N13—C158	1.385 (4)
N7—C80	1.396 (4)	C158—C163	1.397 (5)
C80—C85	1.394 (4)	C158—C159	1.412 (5)
C80—C81	1.400 (4)	C159—C160	1.393 (5)
C81—C82	1.388 (4)	C159—C164	1.496 (5)
C81—C86	1.524 (5)	C160—C161	1.360 (6)
C82—C83	1.368 (5)	C160—H16A	0.9500
C82—H82A	0.9500	C161—C162	1.368 (6)
C83—C84	1.375 (5)	C161—H16B	0.9500
C83—H83A	0.9500	C162—C163	1.398 (5)
C84—C85	1.389 (4)	C162—H16C	0.9500
C84—H84A	0.9500	C163—C67'	1.520 (9)
C85—C89	1.518 (4)	C163—C167	1.521 (7)
C86—C87	1.497 (6)	C164—C166	1.529 (5)
C86—C88	1.499 (5)	C164—C165	1.535 (5)
C86—H86A	1.0000	C164—H16D	1.0000
C87—H87A	0.9800	C165—H16E	0.9800
C87—H87B	0.9800	C165—H16F	0.9800
C87—H87C	0.9800	C165—H16G	0.9800
C88—H88A	0.9800	C166—H16H	0.9800
C88—H88B	0.9800	C166—H16I	0.9800
C88—H88C	0.9800	C166—H16J	0.9800
C89—C91	1.527 (4)	C168—C167	1.529 (9)
C89—C90	1.528 (4)	C168—H16K	0.9800
C89—H89A	1.0000	C168—H16L	0.9800
C90—H90A	0.9800	C168—H16M	0.9800
C90—H90B	0.9800	C167—C169	1.524 (9)
C90—H90C	0.9800	C167—H167	1.0000
C91—H91A	0.9800	C169—H16N	0.9800
C91—H91B	0.9800	C169—H16O	0.9800
C91—H91C	0.9800	C169—H16P	0.9800
Ta2—C92	2.100 (3)	C68'—C67'	1.522 (14)
Ta2—C157	2.115 (3)	C68'—H68A	0.9800
Ta2—C118	2.120 (3)	C68'—H68B	0.9800
Ta2—C144	2.123 (3)	C68'—H68C	0.9800
Ta2—C131	2.124 (3)	C67'—C69'	1.525 (14)
Ta2—C105	2.135 (3)	C67'—H67'	1.0000
C92—N8	1.184 (4)	C69'—H69B	0.9800
N8—C93	1.367 (4)	C69'—H69C	0.9800
C93—C98	1.399 (4)	C69'—H69D	0.9800
C14—Ta1—C1	70.28 (10)	C98—C93—C94	122.0 (3)
C14—Ta1—C66	75.87 (10)	C95—C94—C93	116.8 (3)
C1—Ta1—C66	115.20 (11)	C95—C94—C99	124.1 (4)
C14—Ta1—C40	119.11 (10)	C93—C94—C99	119.0 (3)
C1—Ta1—C40	77.50 (11)	C96—C95—C94	122.1 (4)
C66—Ta1—C40	163.93 (10)	C96—C95—H95A	119.0
C14—Ta1—C53	123.83 (10)	C94—C95—H95A	119.0
C1—Ta1—C53	76.23 (10)	C97—C96—C95	119.8 (3)
C66—Ta1—C53	79.56 (10)	C97—C96—H96A	120.1
C40—Ta1—C53	94.92 (10)	C95—C96—H96A	120.1
C14—Ta1—C27	73.27 (10)	C96—C97—C98	121.9 (3)
C1—Ta1—C27	122.53 (10)	C96—C97—H97A	119.1
C66—Ta1—C27	96.52 (10)	C98—C97—H97A	119.1
C40—Ta1—C27	83.46 (10)	C97—C98—C93	117.3 (3)
C53—Ta1—C27	159.90 (10)	C97—C98—C102	121.4 (6)
C14—Ta1—C79	141.38 (10)	C93—C98—C102	120.7 (6)
C1—Ta1—C79	148.34 (10)	C97—C98—C02'	125.5 (7)
C66—Ta1—C79	81.79 (10)	C93—C98—C02'	116.4 (7)
C40—Ta1—C79	82.47 (10)	C94—C99—C101	112.9 (4)
C53—Ta1—C79	81.40 (10)	C94—C99—C100	110.7 (3)
C27—Ta1—C79	78.53 (10)	C101—C99—C100	111.8 (4)
N1—C1—Ta1	178.4 (2)	C94—C99—H99A	107.0
C1—N1—C2	167.9 (3)	C101—C99—H99A	107.0
N1—C2—C3	118.4 (3)	C100—C99—H99A	107.0
N1—C2—C7	118.7 (3)	C99—C100—H10D	109.5
C3—C2—C7	122.9 (3)	C99—C100—H10E	109.5
C4—C3—C2	117.3 (3)	H10D—C100—H10E	109.5
C4—C3—C8	121.9 (3)	C99—C100—H10F	109.5
C2—C3—C8	120.7 (3)	H10D—C100—H10F	109.5
C3—C4—C5	121.1 (4)	H10E—C100—H10F	109.5
C3—C4—H4A	119.5	C99—C101—H10G	109.5
C5—C4—H4A	119.5	C99—C101—H10H	109.5
C6—C5—C4	120.2 (4)	H10G—C101—H10H	109.5
C6—C5—H5A	119.9	C99—C101—H10I	109.5
C4—C5—H5A	119.9	H10G—C101—H10I	109.5
C5—C6—C7	121.8 (4)	H10H—C101—H10I	109.5
C5—C6—H6A	119.1	C102—C103—H10J	109.5
C7—C6—H6A	119.1	C102—C103—H10K	109.5
C6—C7—C2	116.7 (3)	H10J—C103—H10K	109.5
C6—C7—C11	122.4 (3)	C102—C103—H10L	109.5
C2—C7—C11	120.8 (3)	H10J—C103—H10L	109.5
C9—C8—C3	110.7 (3)	H10K—C103—H10L	109.5
C9—C8—C10	111.6 (4)	C104—C102—C103	110.1 (9)
C3—C8—C10	113.2 (3)	C104—C102—C98	118.1 (9)
C9—C8—H8A	107.0	C103—C102—C98	105.6 (7)
C3—C8—H8A	107.0	C104—C102—H102	107.6
C10—C8—H8A	107.0	C103—C102—H102	107.6
C8—C9—H9A	109.5	C98—C102—H102	107.6
C8—C9—H9B	109.5	C102—C104—H10M	109.5
H9A—C9—H9B	109.5	C102—C104—H10N	109.5
C8—C9—H9C	109.5	H10M—C104—H10N	109.5
H9A—C9—H9C	109.5	C102—C104—H10O	109.5
H9B—C9—H9C	109.5	H10M—C104—H10O	109.5
C8—C10—H10A	109.5	H10N—C104—H10O	109.5
C8—C10—H10B	109.5	C02'—C03'—H03A	109.5
H10A—C10—H10B	109.5	C02'—C03'—H03B	109.5
C8—C10—H10C	109.5	H03A—C03'—H03B	109.5
H10A—C10—H10C	109.5	C02'—C03'—H03C	109.5
H10B—C10—H10C	109.5	H03A—C03'—H03C	109.5
C7—C11—C12	113.4 (3)	H03B—C03'—H03C	109.5
C7—C11—C13	111.5 (3)	C03'—C02'—C98	117.0 (10)
C12—C11—C13	109.9 (3)	C03'—C02'—C04'	109.1 (11)
C7—C11—H11A	107.3	C98—C02'—C04'	105.8 (9)
C12—C11—H11A	107.3	C03'—C02'—H02'	108.2
C13—C11—H11A	107.3	C98—C02'—H02'	108.2
C11—C12—H12A	109.5	C04'—C02'—H02'	108.2
C11—C12—H12B	109.5	C02'—C04'—H04A	109.5
H12A—C12—H12B	109.5	C02'—C04'—H04B	109.5
C11—C12—H12C	109.5	H04A—C04'—H04B	109.5
H12A—C12—H12C	109.5	C02'—C04'—H04C	109.5
H12B—C12—H12C	109.5	H04A—C04'—H04C	109.5
C11—C13—H13A	109.5	H04B—C04'—H04C	109.5
C11—C13—H13B	109.5	N9—C105—Ta2	172.9 (3)
H13A—C13—H13B	109.5	C105—N9—C106	171.7 (3)
C11—C13—H13C	109.5	N9—C106—C111	118.4 (3)
H13A—C13—H13C	109.5	N9—C106—C107	118.7 (3)
H13B—C13—H13C	109.5	C111—C106—C107	122.9 (3)
N2—C14—Ta1	179.4 (2)	C108—C107—C106	116.9 (3)
C14—N2—C15	163.8 (3)	C108—C107—C112	122.4 (3)
N2—C15—C16	118.6 (3)	C106—C107—C112	120.6 (3)
N2—C15—C20	118.0 (3)	C109—C108—C107	121.6 (3)
C16—C15—C20	123.4 (3)	C109—C108—H10Q	119.2
C17—C16—C15	116.7 (3)	C107—C108—H10Q	119.2
C17—C16—C21	122.0 (3)	C108—C109—C110	120.2 (3)
C15—C16—C21	121.4 (3)	C108—C109—H10R	119.9
C18—C17—C16	121.2 (3)	C110—C109—H10R	119.9
C18—C17—H17A	119.4	C111—C110—C109	121.3 (3)
C16—C17—H17A	119.4	C111—C110—H11B	119.4
C19—C18—C17	120.4 (3)	C109—C110—H11B	119.4
C19—C18—H18A	119.8	C110—C111—C106	117.1 (3)
C17—C18—H18A	119.8	C110—C111—C115	122.7 (3)
C18—C19—C20	121.7 (3)	C106—C111—C115	120.2 (3)
C18—C19—H19A	119.2	C107—C112—C113	111.2 (3)
C20—C19—H19A	119.2	C107—C112—C114	113.3 (3)
C19—C20—C15	116.6 (3)	C113—C112—C114	110.9 (3)
C19—C20—C24	123.4 (3)	C107—C112—H11C	107.0
C15—C20—C24	120.0 (3)	C113—C112—H11C	107.0
C16—C21—C23	110.9 (3)	C114—C112—H11C	107.0
C16—C21—C22	112.7 (3)	C112—C113—H11D	109.5
C23—C21—C22	110.6 (3)	C112—C113—H11E	109.5
C16—C21—H21A	107.5	H11D—C113—H11E	109.5
C23—C21—H21A	107.5	C112—C113—H11F	109.5
C22—C21—H21A	107.5	H11D—C113—H11F	109.5
C21—C22—H22A	109.5	H11E—C113—H11F	109.5
C21—C22—H22B	109.5	C112—C114—H11G	109.5
H22A—C22—H22B	109.5	C112—C114—H11H	109.5
C21—C22—H22C	109.5	H11G—C114—H11H	109.5
H22A—C22—H22C	109.5	C112—C114—H11I	109.5
H22B—C22—H22C	109.5	H11G—C114—H11I	109.5
C21—C23—H23A	109.5	H11H—C114—H11I	109.5
C21—C23—H23B	109.5	C111—C115—C117	114.2 (3)
H23A—C23—H23B	109.5	C111—C115—C116	109.3 (3)
C21—C23—H23C	109.5	C117—C115—C116	110.7 (3)
H23A—C23—H23C	109.5	C111—C115—H11J	107.5
H23B—C23—H23C	109.5	C117—C115—H11J	107.5
C20—C24—C26	111.8 (3)	C116—C115—H11J	107.5
C20—C24—C25	112.3 (3)	C115—C116—H11K	109.5
C26—C24—C25	110.2 (3)	C115—C116—H11L	109.5
C20—C24—H24A	107.4	H11K—C116—H11L	109.5
C26—C24—H24A	107.4	C115—C116—H11M	109.5
C25—C24—H24A	107.4	H11K—C116—H11M	109.5
C24—C25—H25A	109.5	H11L—C116—H11M	109.5
C24—C25—H25B	109.5	C115—C117—H11N	109.5
H25A—C25—H25B	109.5	C115—C117—H11O	109.5
C24—C25—H25C	109.5	H11N—C117—H11O	109.5
H25A—C25—H25C	109.5	C115—C117—H11P	109.5
H25B—C25—H25C	109.5	H11N—C117—H11P	109.5
C24—C26—H26A	109.5	H11O—C117—H11P	109.5
C24—C26—H26B	109.5	N10—C118—Ta2	177.8 (3)
H26A—C26—H26B	109.5	C118—N10—C119	173.0 (3)
C24—C26—H26C	109.5	N10—C119—C124	119.9 (3)
H26A—C26—H26C	109.5	N10—C119—C120	119.7 (3)
H26B—C26—H26C	109.5	C124—C119—C120	120.4 (3)
N3—C27—Ta1	173.8 (2)	C121—C120—C119	118.0 (3)
C27—N3—C28	174.8 (3)	C121—C120—C125	121.9 (3)
C33—C28—C29	122.9 (3)	C119—C120—C125	120.0 (3)
C33—C28—N3	118.4 (3)	C122—C121—C120	121.9 (3)
C29—C28—N3	118.7 (3)	C122—C121—H12D	119.1
C30—C29—C28	117.3 (3)	C120—C121—H12D	119.1
C30—C29—C34	119.5 (3)	C121—C122—C123	119.8 (3)
C28—C29—C34	123.1 (3)	C121—C122—H12E	120.1
C31—C30—C29	120.8 (3)	C123—C122—H12E	120.1
C31—C30—H30A	119.6	C122—C123—C124	122.0 (3)
C29—C30—H30A	119.6	C122—C123—H12F	119.0
C30—C31—C32	120.8 (3)	C124—C123—H12F	119.0
C30—C31—H31A	119.6	C123—C124—C119	117.9 (3)
C32—C31—H31A	119.6	C123—C124—C128	122.2 (8)
C33—C32—C31	120.4 (3)	C119—C124—C128	119.8 (7)
C33—C32—H32A	119.8	C123—C124—C28'	122.8 (10)
C31—C32—H32A	119.8	C119—C124—C28'	119.0 (9)
C28—C33—C32	117.8 (3)	C127—C125—C120	109.8 (3)
C28—C33—C37	121.8 (3)	C127—C125—C126	112.8 (4)
C32—C33—C37	120.2 (3)	C120—C125—C126	113.1 (3)
C29—C34—C35	112.3 (3)	C127—C125—H12G	107.0
C29—C34—C36	110.3 (3)	C120—C125—H12G	107.0
C35—C34—C36	109.4 (3)	C126—C125—H12G	107.0
C29—C34—H34A	108.3	C125—C126—H12H	109.5
C35—C34—H34A	108.3	C125—C126—H12I	109.5
C36—C34—H34A	108.3	H12H—C126—H12I	109.5
C34—C35—H35A	109.5	C125—C126—H12J	109.5
C34—C35—H35B	109.5	H12H—C126—H12J	109.5
H35A—C35—H35B	109.5	H12I—C126—H12J	109.5
C34—C35—H35C	109.5	C125—C127—H12K	109.5
H35A—C35—H35C	109.5	C125—C127—H12L	109.5
H35B—C35—H35C	109.5	H12K—C127—H12L	109.5
C34—C36—H36A	109.5	C125—C127—H12M	109.5
C34—C36—H36B	109.5	H12K—C127—H12M	109.5
H36A—C36—H36B	109.5	H12L—C127—H12M	109.5
C34—C36—H36C	109.5	C128—C129—H12N	109.5
H36A—C36—H36C	109.5	C128—C129—H12O	109.5
H36B—C36—H36C	109.5	H12N—C129—H12O	109.5
C33—C37—C39	113.1 (3)	C128—C129—H12P	109.5
C33—C37—C38	109.3 (3)	H12N—C129—H12P	109.5
C39—C37—C38	110.8 (3)	H12O—C129—H12P	109.5
C33—C37—H37A	107.8	C124—C128—C130	109.5 (7)
C39—C37—H37A	107.8	C124—C128—C129	114.6 (10)
C38—C37—H37A	107.8	C130—C128—C129	109.3 (10)
C37—C38—H38A	109.5	C124—C128—H128	107.8
C37—C38—H38B	109.5	C130—C128—H128	107.8
H38A—C38—H38B	109.5	C129—C128—H128	107.8
C37—C38—H38C	109.5	C128—C130—H13D	109.5
H38A—C38—H38C	109.5	C128—C130—H13E	109.5
H38B—C38—H38C	109.5	H13D—C130—H13E	109.5
C37—C39—H39A	109.5	C128—C130—H13F	109.5
C37—C39—H39B	109.5	H13D—C130—H13F	109.5
H39A—C39—H39B	109.5	H13E—C130—H13F	109.5
C37—C39—H39C	109.5	C28'—C29'—H29A	109.5
H39A—C39—H39C	109.5	C28'—C29'—H29B	109.5
H39B—C39—H39C	109.5	H29A—C29'—H29B	109.5
N4—C40—Ta1	174.4 (2)	C28'—C29'—H29C	109.5
C40—N4—C41	173.3 (3)	H29A—C29'—H29C	109.5
C46—C41—N4	118.0 (3)	H29B—C29'—H29C	109.5
C46—C41—C42	124.4 (3)	C124—C28'—C30'	111.9 (13)
N4—C41—C42	117.5 (3)	C124—C28'—C29'	107.0 (9)
C43—C42—C41	116.3 (4)	C30'—C28'—C29'	109.9 (14)
C43—C42—C47	123.5 (4)	C124—C28'—H28'	109.3
C41—C42—C47	120.0 (3)	C30'—C28'—H28'	109.3
C44—C43—C42	121.5 (4)	C29'—C28'—H28'	109.3
C44—C43—H43A	119.2	C28'—C30'—H30B	109.5
C42—C43—H43A	119.2	C28'—C30'—H30C	109.5
C43—C44—C45	120.7 (4)	H30B—C30'—H30C	109.5
C43—C44—H44A	119.6	C28'—C30'—H30D	109.5
C45—C44—H44A	119.6	H30B—C30'—H30D	109.5
C44—C45—C46	120.8 (4)	H30C—C30'—H30D	109.5
C44—C45—H45A	119.6	N11—C131—Ta2	174.9 (3)
C46—C45—H45A	119.6	C131—N11—C132	163.8 (3)
C41—C46—C45	116.1 (4)	N11—C132—C137	118.2 (3)
C41—C46—C50	121.1 (3)	N11—C132—C133	119.6 (3)
C45—C46—C50	122.7 (3)	C137—C132—C133	122.2 (3)
C49—C47—C42	114.9 (4)	C134—C133—C132	117.1 (4)
C49—C47—C48	108.2 (4)	C134—C133—C138	120.7 (5)
C42—C47—C48	111.0 (3)	C132—C133—C138	121.7 (4)
C49—C47—H47A	107.4	C134—C133—C38'	121.4 (7)
C42—C47—H47A	107.4	C132—C133—C38'	118.5 (7)
C48—C47—H47A	107.4	C135—C134—C133	122.0 (5)
C47—C48—H48A	109.5	C135—C134—H13G	119.0
C47—C48—H48B	109.5	C133—C134—H13G	119.0
H48A—C48—H48B	109.5	C134—C135—C136	120.5 (4)
C47—C48—H48C	109.5	C134—C135—H13H	119.7
H48A—C48—H48C	109.5	C136—C135—H13H	119.7
H48B—C48—H48C	109.5	C135—C136—C137	120.7 (4)
C47—C49—H49A	109.5	C135—C136—H13I	119.7
C47—C49—H49B	109.5	C137—C136—H13I	119.7
H49A—C49—H49B	109.5	C132—C137—C136	117.5 (4)
C47—C49—H49C	109.5	C132—C137—C141	121.7 (3)
H49A—C49—H49C	109.5	C136—C137—C141	120.9 (4)
H49B—C49—H49C	109.5	C138—C139—H13J	109.5
C51—C50—C52	110.4 (3)	C138—C139—H13K	109.5
C51—C50—C46	110.6 (3)	H13J—C139—H13K	109.5
C52—C50—C46	115.0 (4)	C138—C139—H13L	109.5
C51—C50—H50A	106.8	H13J—C139—H13L	109.5
C52—C50—H50A	106.8	H13K—C139—H13L	109.5
C46—C50—H50A	106.8	C140—C138—C139	111.5 (7)
C50—C51—H51A	109.5	C140—C138—C133	103.8 (6)
C50—C51—H51B	109.5	C139—C138—C133	116.3 (7)
H51A—C51—H51B	109.5	C140—C138—H38D	108.3
C50—C51—H51C	109.5	C139—C138—H38D	108.3
H51A—C51—H51C	109.5	C133—C138—H38D	108.3
H51B—C51—H51C	109.5	C138—C140—H14A	109.5
C50—C52—H52A	109.5	C138—C140—H14B	109.5
C50—C52—H52B	109.5	H14A—C140—H14B	109.5
H52A—C52—H52B	109.5	C138—C140—H14C	109.5
C50—C52—H52C	109.5	H14A—C140—H14C	109.5
H52A—C52—H52C	109.5	H14B—C140—H14C	109.5
H52B—C52—H52C	109.5	C38'—C39'—H39D	109.5
N5—C53—Ta1	176.6 (3)	C38'—C39'—H39E	109.5
C53—N5—C54	179.9 (4)	H39D—C39'—H39E	109.5
N5—C54—C55	118.1 (3)	C38'—C39'—H39F	109.5
N5—C54—C59	118.3 (3)	H39D—C39'—H39F	109.5
C55—C54—C59	123.5 (3)	H39E—C39'—H39F	109.5
C56—C55—C54	116.6 (3)	C39'—C38'—C133	105.9 (11)
C56—C55—C60	121.8 (3)	C39'—C38'—C40'	101.6 (10)
C54—C55—C60	121.6 (3)	C133—C38'—C40'	120.9 (10)
C57—C56—C55	121.0 (3)	C39'—C38'—H38E	109.3
C57—C56—H56A	119.5	C133—C38'—H38E	109.3
C55—C56—H56A	119.5	C40'—C38'—H38E	109.3
C58—C57—C56	120.9 (3)	C38'—C40'—H40A	109.5
C58—C57—H57A	119.5	C38'—C40'—H40B	109.5
C56—C57—H57A	119.5	H40A—C40'—H40B	109.5
C57—C58—C59	121.3 (3)	C38'—C40'—H40C	109.5
C57—C58—H58A	119.4	H40A—C40'—H40C	109.5
C59—C58—H58A	119.4	H40B—C40'—H40C	109.5
C58—C59—C54	116.7 (3)	C137—C141—C143	111.9 (4)
C58—C59—C63	122.8 (3)	C137—C141—C142	113.2 (4)
C54—C59—C63	120.4 (3)	C143—C141—C142	107.9 (4)
C62—C60—C55	110.7 (3)	C137—C141—H14D	107.9
C62—C60—C61	109.7 (4)	C143—C141—H14D	107.9
C55—C60—C61	113.8 (3)	C142—C141—H14D	107.9
C62—C60—H60A	107.4	C141—C142—H14E	109.5
C55—C60—H60A	107.4	C141—C142—H14F	109.5
C61—C60—H60A	107.4	H14E—C142—H14F	109.5
C60—C61—H61A	109.5	C141—C142—H14G	109.5
C60—C61—H61B	109.5	H14E—C142—H14G	109.5
H61A—C61—H61B	109.5	H14F—C142—H14G	109.5
C60—C61—H61C	109.5	C141—C143—H14H	109.5
H61A—C61—H61C	109.5	C141—C143—H14I	109.5
H61B—C61—H61C	109.5	H14H—C143—H14I	109.5
C60—C62—H62A	109.5	C141—C143—H14J	109.5
C60—C62—H62B	109.5	H14H—C143—H14J	109.5
H62A—C62—H62B	109.5	H14I—C143—H14J	109.5
C60—C62—H62C	109.5	N12—C144—Ta2	174.8 (2)
H62A—C62—H62C	109.5	C144—N12—C145	165.6 (3)
H62B—C62—H62C	109.5	N12—C145—C146	120.0 (3)
C59—C63—C64	113.7 (3)	N12—C145—C150	118.7 (3)
C59—C63—C65	110.6 (3)	C146—C145—C150	121.3 (3)
C64—C63—C65	111.0 (3)	C147—C146—C145	118.1 (3)
C59—C63—H63A	107.1	C147—C146—C151	121.2 (4)
C64—C63—H63A	107.1	C145—C146—C151	120.7 (4)
C65—C63—H63A	107.1	C147—C146—C51'	122.5 (12)
C63—C64—H64A	109.5	C145—C146—C51'	119.3 (12)
C63—C64—H64B	109.5	C148—C147—C146	121.2 (3)
H64A—C64—H64B	109.5	C148—C147—H14K	119.4
C63—C64—H64C	109.5	C146—C147—H14K	119.4
H64A—C64—H64C	109.5	C149—C148—C147	120.2 (3)
H64B—C64—H64C	109.5	C149—C148—H14L	119.9
C63—C65—H65A	109.5	C147—C148—H14L	119.9
C63—C65—H65B	109.5	C148—C149—C150	121.2 (3)
H65A—C65—H65B	109.5	C148—C149—H14M	119.4
C63—C65—H65C	109.5	C150—C149—H14M	119.4
H65A—C65—H65C	109.5	C149—C150—C145	117.8 (3)
H65B—C65—H65C	109.5	C149—C150—C154	121.7 (3)
N6—C66—Ta1	177.3 (3)	C145—C150—C154	120.5 (3)
C66—N6—C67	171.4 (3)	C151—C152—H15A	109.5
C68—C67—N6	117.8 (3)	C151—C152—H15B	109.5
C68—C67—C72	124.7 (3)	H15A—C152—H15B	109.5
N6—C67—C72	117.5 (3)	C151—C152—H15C	109.5
C67—C68—C69	116.1 (3)	H15A—C152—H15C	109.5
C67—C68—C73	121.0 (3)	H15B—C152—H15C	109.5
C69—C68—C73	122.9 (3)	C153—C151—C146	110.3 (4)
C70—C69—C68	120.8 (4)	C153—C151—C152	109.6 (4)
C70—C69—H69A	119.6	C146—C151—C152	113.9 (5)
C68—C69—H69A	119.6	C153—C151—H151	107.6
C71—C70—C69	121.3 (3)	C146—C151—H151	107.6
C71—C70—H70A	119.3	C152—C151—H151	107.6
C69—C70—H70A	119.3	C151—C153—H15D	109.5
C70—C71—C72	121.3 (3)	C151—C153—H15E	109.5
C70—C71—H71A	119.4	H15D—C153—H15E	109.5
C72—C71—H71A	119.4	C151—C153—H15F	109.5
C71—C72—C67	115.8 (3)	H15D—C153—H15F	109.5
C71—C72—C76	123.0 (3)	H15E—C153—H15F	109.5
C67—C72—C76	121.2 (3)	C51'—C52'—H52D	109.5
C68—C73—C74	110.7 (3)	C51'—C52'—H52E	109.5
C68—C73—C75	113.0 (3)	H52D—C52'—H52E	109.5
C74—C73—C75	110.9 (3)	C51'—C52'—H52F	109.5
C68—C73—H73A	107.3	H52D—C52'—H52F	109.5
C74—C73—H73A	107.3	H52E—C52'—H52F	109.5
C75—C73—H73A	107.3	C146—C51'—C53'	113.9 (16)
C73—C74—H74A	109.5	C146—C51'—C52'	110.1 (16)
C73—C74—H74B	109.5	C53'—C51'—C52'	108 (2)
H74A—C74—H74B	109.5	C146—C51'—H51'	108.3
C73—C74—H74C	109.5	C53'—C51'—H51'	108.3
H74A—C74—H74C	109.5	C52'—C51'—H51'	108.3
H74B—C74—H74C	109.5	C51'—C53'—H53A	109.5
C73—C75—H75A	109.5	C51'—C53'—H53B	109.5
C73—C75—H75B	109.5	H53A—C53'—H53B	109.5
H75A—C75—H75B	109.5	C51'—C53'—H53C	109.5
C73—C75—H75C	109.5	H53A—C53'—H53C	109.5
H75A—C75—H75C	109.5	H53B—C53'—H53C	109.5
H75B—C75—H75C	109.5	C150—C154—C156	113.4 (3)
C78—C76—C72	110.5 (3)	C150—C154—C155	109.6 (3)
C78—C76—C77	110.2 (3)	C156—C154—C155	110.4 (3)
C72—C76—C77	113.5 (3)	C150—C154—H15H	107.7
C78—C76—H76A	107.4	C156—C154—H15H	107.7
C72—C76—H76A	107.4	C155—C154—H15H	107.7
C77—C76—H76A	107.4	C154—C155—H15I	109.5
C76—C77—H77A	109.5	C154—C155—H15J	109.5
C76—C77—H77B	109.5	H15I—C155—H15J	109.5
H77A—C77—H77B	109.5	C154—C155—H15K	109.5
C76—C77—H77C	109.5	H15I—C155—H15K	109.5
H77A—C77—H77C	109.5	H15J—C155—H15K	109.5
H77B—C77—H77C	109.5	C154—C156—H15L	109.5
C76—C78—H78A	109.5	C154—C156—H15M	109.5
C76—C78—H78B	109.5	H15L—C156—H15M	109.5
H78A—C78—H78B	109.5	C154—C156—H15N	109.5
C76—C78—H78C	109.5	H15L—C156—H15N	109.5
H78A—C78—H78C	109.5	H15M—C156—H15N	109.5
H78B—C78—H78C	109.5	N13—C157—Ta2	174.9 (3)
N7—C79—Ta1	178.2 (3)	C157—N13—C158	160.6 (3)
C79—N7—C80	177.8 (3)	N13—C158—C163	119.9 (3)
C85—C80—N7	117.8 (3)	N13—C158—C159	117.9 (3)
C85—C80—C81	124.1 (3)	C163—C158—C159	122.2 (3)
N7—C80—C81	118.1 (3)	C160—C159—C158	116.4 (4)
C82—C81—C80	116.2 (3)	C160—C159—C164	123.6 (4)
C82—C81—C86	122.5 (3)	C158—C159—C164	120.0 (3)
C80—C81—C86	121.3 (3)	C161—C160—C159	122.0 (4)
C83—C82—C81	121.5 (3)	C161—C160—H16A	119.0
C83—C82—H82A	119.2	C159—C160—H16A	119.0
C81—C82—H82A	119.2	C160—C161—C162	121.2 (4)
C82—C83—C84	120.4 (3)	C160—C161—H16B	119.4
C82—C83—H83A	119.8	C162—C161—H16B	119.4
C84—C83—H83A	119.8	C161—C162—C163	120.2 (4)
C83—C84—C85	121.7 (3)	C161—C162—H16C	119.9
C83—C84—H84A	119.2	C163—C162—H16C	119.9
C85—C84—H84A	119.2	C158—C163—C162	118.0 (4)
C84—C85—C80	116.0 (3)	C158—C163—C67'	118.9 (9)
C84—C85—C89	122.4 (3)	C162—C163—C67'	122.8 (9)
C80—C85—C89	121.6 (3)	C158—C163—C167	122.6 (6)
C87—C86—C88	112.7 (4)	C162—C163—C167	119.0 (6)
C87—C86—C81	111.5 (3)	C159—C164—C166	113.2 (3)
C88—C86—C81	112.6 (3)	C159—C164—C165	110.8 (3)
C87—C86—H86A	106.5	C166—C164—C165	110.6 (4)
C88—C86—H86A	106.5	C159—C164—H16D	107.3
C81—C86—H86A	106.5	C166—C164—H16D	107.3
C86—C87—H87A	109.5	C165—C164—H16D	107.3
C86—C87—H87B	109.5	C164—C165—H16E	109.5
H87A—C87—H87B	109.5	C164—C165—H16F	109.5
C86—C87—H87C	109.5	H16E—C165—H16F	109.5
H87A—C87—H87C	109.5	C164—C165—H16G	109.5
H87B—C87—H87C	109.5	H16E—C165—H16G	109.5
C86—C88—H88A	109.5	H16F—C165—H16G	109.5
C86—C88—H88B	109.5	C164—C166—H16H	109.5
H88A—C88—H88B	109.5	C164—C166—H16I	109.5
C86—C88—H88C	109.5	H16H—C166—H16I	109.5
H88A—C88—H88C	109.5	C164—C166—H16J	109.5
H88B—C88—H88C	109.5	H16H—C166—H16J	109.5
C85—C89—C91	109.8 (3)	H16I—C166—H16J	109.5
C85—C89—C90	113.6 (3)	C167—C168—H16K	109.5
C91—C89—C90	110.3 (3)	C167—C168—H16L	109.5
C85—C89—H89A	107.6	H16K—C168—H16L	109.5
C91—C89—H89A	107.6	C167—C168—H16M	109.5
C90—C89—H89A	107.6	H16K—C168—H16M	109.5
C89—C90—H90A	109.5	H16L—C168—H16M	109.5
C89—C90—H90B	109.5	C163—C167—C169	118.8 (8)
H90A—C90—H90B	109.5	C163—C167—C168	107.1 (7)
C89—C90—H90C	109.5	C169—C167—C168	109.5 (8)
H90A—C90—H90C	109.5	C163—C167—H167	107.0
H90B—C90—H90C	109.5	C169—C167—H167	107.0
C89—C91—H91A	109.5	C168—C167—H167	107.0
C89—C91—H91B	109.5	C167—C169—H16N	109.5
H91A—C91—H91B	109.5	C167—C169—H16O	109.5
C89—C91—H91C	109.5	H16N—C169—H16O	109.5
H91A—C91—H91C	109.5	C167—C169—H16P	109.5
H91B—C91—H91C	109.5	H16N—C169—H16P	109.5
C92—Ta2—C157	90.25 (11)	H16O—C169—H16P	109.5
C92—Ta2—C118	86.39 (11)	C67'—C68'—H68A	109.5
C157—Ta2—C118	93.01 (11)	C67'—C68'—H68B	109.5
C92—Ta2—C144	169.52 (11)	H68A—C68'—H68B	109.5
C157—Ta2—C144	98.66 (10)	C67'—C68'—H68C	109.5
C118—Ta2—C144	87.63 (10)	H68A—C68'—H68C	109.5
C92—Ta2—C131	87.79 (11)	H68B—C68'—H68C	109.5
C157—Ta2—C131	84.40 (11)	C163—C67'—C68'	113.6 (15)
C118—Ta2—C131	173.62 (11)	C163—C67'—C69'	95.3 (11)
C144—Ta2—C131	98.51 (11)	C68'—C67'—C69'	109.9 (16)
C92—Ta2—C105	80.63 (11)	C163—C67'—H67'	112.3
C157—Ta2—C105	166.73 (10)	C68'—C67'—H67'	112.3
C118—Ta2—C105	95.99 (10)	C69'—C67'—H67'	112.3
C144—Ta2—C105	91.46 (10)	C67'—C69'—H69B	109.5
C131—Ta2—C105	85.63 (11)	C67'—C69'—H69C	109.5
N8—C92—Ta2	174.6 (3)	H69B—C69'—H69C	109.5
C92—N8—C93	170.9 (4)	C67'—C69'—H69D	109.5
N8—C93—C98	118.8 (3)	H69B—C69'—H69D	109.5
N8—C93—C94	119.1 (3)	H69C—C69'—H69D	109.5
C1—N1—C2—C3	−121.0 (15)	C96—C97—C98—C93	−1.8 (5)
C1—N1—C2—C7	57.5 (16)	C96—C97—C98—C102	169.6 (6)
N1—C2—C3—C4	175.4 (3)	C96—C97—C98—C02'	−171.0 (7)
C7—C2—C3—C4	−3.1 (5)	N8—C93—C98—C97	−179.3 (3)
N1—C2—C3—C8	−2.1 (5)	C94—C93—C98—C97	2.4 (5)
C7—C2—C3—C8	179.4 (3)	N8—C93—C98—C102	9.3 (6)
C2—C3—C4—C5	1.4 (5)	C94—C93—C98—C102	−169.1 (5)
C8—C3—C4—C5	178.9 (4)	N8—C93—C98—C02'	−9.1 (7)
C3—C4—C5—C6	0.3 (6)	C94—C93—C98—C02'	172.6 (6)
C4—C5—C6—C7	−0.6 (6)	C95—C94—C99—C101	26.4 (5)
C5—C6—C7—C2	−0.9 (5)	C93—C94—C99—C101	−155.0 (4)
C5—C6—C7—C11	179.7 (3)	C95—C94—C99—C100	−99.8 (5)
N1—C2—C7—C6	−175.6 (3)	C93—C94—C99—C100	78.8 (5)
C3—C2—C7—C6	2.8 (5)	C97—C98—C102—C104	−25.4 (12)
N1—C2—C7—C11	3.8 (4)	C93—C98—C102—C104	145.7 (9)
C3—C2—C7—C11	−177.8 (3)	C97—C98—C102—C103	98.2 (9)
C4—C3—C8—C9	−87.0 (4)	C93—C98—C102—C103	−90.7 (10)
C2—C3—C8—C9	90.4 (4)	C97—C98—C02'—C03'	30.9 (15)
C4—C3—C8—C10	39.2 (5)	C93—C98—C02'—C03'	−138.4 (10)
C2—C3—C8—C10	−143.4 (4)	C97—C98—C02'—C04'	−90.9 (12)
C6—C7—C11—C12	21.1 (5)	C93—C98—C02'—C04'	99.8 (12)
C2—C7—C11—C12	−158.3 (3)	N9—C106—C107—C108	−178.8 (3)
C6—C7—C11—C13	−103.6 (4)	C111—C106—C107—C108	0.7 (5)
C2—C7—C11—C13	77.0 (4)	N9—C106—C107—C112	−0.9 (5)
C14—N2—C15—C16	−7.6 (11)	C111—C106—C107—C112	178.7 (3)
C14—N2—C15—C20	171.8 (9)	C106—C107—C108—C109	−0.4 (6)
N2—C15—C16—C17	176.4 (3)	C112—C107—C108—C109	−178.3 (4)
C20—C15—C16—C17	−2.9 (4)	C107—C108—C109—C110	−0.7 (7)
N2—C15—C16—C21	−2.8 (4)	C108—C109—C110—C111	1.5 (6)
C20—C15—C16—C21	177.9 (3)	C109—C110—C111—C106	−1.1 (5)
C15—C16—C17—C18	0.4 (5)	C109—C110—C111—C115	176.1 (4)
C21—C16—C17—C18	179.7 (3)	N9—C106—C111—C110	179.5 (3)
C16—C17—C18—C19	1.9 (5)	C107—C106—C111—C110	0.0 (5)
C17—C18—C19—C20	−1.9 (5)	N9—C106—C111—C115	2.2 (4)
C18—C19—C20—C15	−0.4 (5)	C107—C106—C111—C115	−177.3 (3)
C18—C19—C20—C24	180.0 (3)	C108—C107—C112—C113	102.5 (4)
N2—C15—C20—C19	−176.4 (3)	C106—C107—C112—C113	−75.3 (4)
C16—C15—C20—C19	2.9 (4)	C108—C107—C112—C114	−23.2 (5)
N2—C15—C20—C24	3.2 (4)	C106—C107—C112—C114	159.0 (3)
C16—C15—C20—C24	−177.5 (3)	C110—C111—C115—C117	21.1 (5)
C17—C16—C21—C23	−91.9 (4)	C106—C111—C115—C117	−161.7 (3)
C15—C16—C21—C23	87.3 (4)	C110—C111—C115—C116	−103.5 (4)
C17—C16—C21—C22	32.7 (4)	C106—C111—C115—C116	73.7 (4)
C15—C16—C21—C22	−148.1 (3)	N10—C119—C120—C121	179.3 (3)
C19—C20—C24—C26	−105.5 (4)	C124—C119—C120—C121	−1.8 (5)
C15—C20—C24—C26	74.9 (4)	N10—C119—C120—C125	1.2 (5)
C19—C20—C24—C25	19.0 (5)	C124—C119—C120—C125	−180.0 (3)
C15—C20—C24—C25	−160.6 (3)	C119—C120—C121—C122	0.7 (6)
C33—C28—C29—C30	2.4 (5)	C125—C120—C121—C122	178.8 (4)
N3—C28—C29—C30	−176.9 (3)	C120—C121—C122—C123	0.3 (7)
C33—C28—C29—C34	−179.7 (3)	C121—C122—C123—C124	−0.3 (7)
N3—C28—C29—C34	1.0 (5)	C122—C123—C124—C119	−0.8 (6)
C28—C29—C30—C31	−1.7 (6)	C122—C123—C124—C128	175.9 (6)
C34—C29—C30—C31	−179.7 (4)	C122—C123—C124—C28'	−174.7 (8)
C29—C30—C31—C32	0.1 (7)	N10—C119—C124—C123	−179.3 (3)
C30—C31—C32—C33	1.0 (7)	C120—C119—C124—C123	1.9 (5)
C29—C28—C33—C32	−1.3 (5)	N10—C119—C124—C128	3.9 (7)
N3—C28—C33—C32	178.0 (3)	C120—C119—C124—C128	−175.0 (6)
C29—C28—C33—C37	−177.3 (3)	N10—C119—C124—C28'	−5.1 (8)
N3—C28—C33—C37	2.0 (5)	C120—C119—C124—C28'	176.1 (8)
C31—C32—C33—C28	−0.4 (6)	C121—C120—C125—C127	−93.2 (5)
C31—C32—C33—C37	175.6 (4)	C119—C120—C125—C127	84.8 (5)
C30—C29—C34—C35	−58.5 (5)	C121—C120—C125—C126	33.6 (5)
C28—C29—C34—C35	123.6 (4)	C119—C120—C125—C126	−148.3 (4)
C30—C29—C34—C36	63.8 (4)	C123—C124—C128—C130	−84.1 (12)
C28—C29—C34—C36	−114.0 (4)	C119—C124—C128—C130	92.6 (11)
C28—C33—C37—C39	−146.1 (3)	C123—C124—C128—C129	39.1 (13)
C32—C33—C37—C39	38.0 (5)	C119—C124—C128—C129	−144.2 (9)
C28—C33—C37—C38	90.0 (4)	C123—C124—C28'—C30'	−28.0 (16)
C32—C33—C37—C38	−85.9 (4)	C119—C124—C28'—C30'	158.1 (11)
C46—C41—C42—C43	3.2 (5)	C123—C124—C28'—C29'	92.4 (13)
N4—C41—C42—C43	−174.2 (3)	C119—C124—C28'—C29'	−81.4 (15)
C46—C41—C42—C47	−172.1 (3)	C131—N11—C132—C137	143.2 (11)
N4—C41—C42—C47	10.5 (5)	C131—N11—C132—C133	−36.1 (13)
C41—C42—C43—C44	0.1 (6)	N11—C132—C133—C134	178.0 (3)
C47—C42—C43—C44	175.2 (4)	C137—C132—C133—C134	−1.2 (6)
C42—C43—C44—C45	−2.5 (6)	N11—C132—C133—C138	5.4 (6)
C43—C44—C45—C46	2.0 (6)	C137—C132—C133—C138	−173.9 (5)
N4—C41—C46—C45	173.7 (3)	N11—C132—C133—C38'	−21.2 (7)
C42—C41—C46—C45	−3.7 (5)	C137—C132—C133—C38'	159.6 (6)
N4—C41—C46—C50	−7.0 (5)	C132—C133—C134—C135	−0.3 (7)
C42—C41—C46—C50	175.7 (3)	C138—C133—C134—C135	172.4 (5)
C44—C45—C46—C41	1.0 (5)	C38'—C133—C134—C135	−160.5 (7)
C44—C45—C46—C50	−178.3 (3)	C133—C134—C135—C136	1.0 (7)
C43—C42—C47—C49	20.8 (6)	C134—C135—C136—C137	−0.2 (7)
C41—C42—C47—C49	−164.2 (4)	N11—C132—C137—C136	−177.3 (3)
C43—C42—C47—C48	−102.4 (4)	C133—C132—C137—C136	1.9 (5)
C41—C42—C47—C48	72.5 (4)	N11—C132—C137—C141	2.7 (5)
C41—C46—C50—C51	82.2 (4)	C133—C132—C137—C141	−178.0 (4)
C45—C46—C50—C51	−98.5 (4)	C135—C136—C137—C132	−1.2 (6)
C41—C46—C50—C52	−151.9 (3)	C135—C136—C137—C141	178.8 (4)
C45—C46—C50—C52	27.4 (5)	C134—C133—C138—C140	99.3 (7)
N5—C54—C55—C56	179.5 (3)	C132—C133—C138—C140	−88.3 (7)
C59—C54—C55—C56	−1.4 (4)	C134—C133—C138—C139	−23.6 (10)
N5—C54—C55—C60	1.3 (4)	C132—C133—C138—C139	148.8 (7)
C59—C54—C55—C60	−179.7 (3)	C134—C133—C38'—C39'	−85.1 (11)
C54—C55—C56—C57	2.0 (4)	C132—C133—C38'—C39'	115.0 (10)
C60—C55—C56—C57	−179.8 (3)	C134—C133—C38'—C40'	29.4 (14)
C55—C56—C57—C58	−1.3 (5)	C132—C133—C38'—C40'	−130.6 (11)
C56—C57—C58—C59	−0.1 (5)	C132—C137—C141—C143	106.0 (4)
C57—C58—C59—C54	0.6 (5)	C136—C137—C141—C143	−74.0 (5)
C57—C58—C59—C63	−176.7 (3)	C132—C137—C141—C142	−131.8 (4)
N5—C54—C59—C58	179.2 (3)	C136—C137—C141—C142	48.3 (5)
C55—C54—C59—C58	0.2 (4)	C144—N12—C145—C146	−7.8 (13)
N5—C54—C59—C63	−3.4 (4)	C144—N12—C145—C150	172.0 (10)
C55—C54—C59—C63	177.6 (3)	N12—C145—C146—C147	−176.0 (3)
C56—C55—C60—C62	−91.1 (4)	C150—C145—C146—C147	4.2 (4)
C54—C55—C60—C62	87.1 (4)	N12—C145—C146—C151	3.9 (5)
C56—C55—C60—C61	33.0 (5)	C150—C145—C146—C151	−175.9 (4)
C54—C55—C60—C61	−148.8 (4)	N12—C145—C146—C51'	4.2 (13)
C58—C59—C63—C64	−28.7 (5)	C150—C145—C146—C51'	−175.6 (12)
C54—C59—C63—C64	154.0 (3)	C145—C146—C147—C148	−1.1 (5)
C58—C59—C63—C65	96.9 (4)	C151—C146—C147—C148	179.0 (4)
C54—C59—C63—C65	−80.3 (4)	C51'—C146—C147—C148	178.8 (13)
N6—C67—C68—C69	−178.5 (3)	C146—C147—C148—C149	−2.2 (5)
C72—C67—C68—C69	0.8 (5)	C147—C148—C149—C150	2.5 (5)
N6—C67—C68—C73	2.3 (5)	C148—C149—C150—C145	0.5 (4)
C72—C67—C68—C73	−178.4 (3)	C148—C149—C150—C154	179.3 (3)
C67—C68—C69—C70	−1.0 (6)	N12—C145—C150—C149	176.3 (3)
C73—C68—C69—C70	178.2 (4)	C146—C145—C150—C149	−4.0 (4)
C68—C69—C70—C71	0.6 (7)	N12—C145—C150—C154	−2.5 (4)
C69—C70—C71—C72	0.0 (7)	C146—C145—C150—C154	177.3 (3)
C70—C71—C72—C67	−0.2 (6)	C147—C146—C151—C153	90.3 (6)
C70—C71—C72—C76	179.7 (4)	C145—C146—C151—C153	−89.6 (5)
C68—C67—C72—C71	−0.2 (5)	C147—C146—C151—C152	−33.4 (6)
N6—C67—C72—C71	179.1 (3)	C145—C146—C151—C152	146.7 (4)
C68—C67—C72—C76	179.8 (3)	C147—C146—C51'—C53'	24 (3)
N6—C67—C72—C76	−0.8 (5)	C145—C146—C51'—C53'	−156.1 (15)
C67—C68—C73—C74	78.8 (4)	C147—C146—C51'—C52'	−97.2 (18)
C69—C68—C73—C74	−100.3 (4)	C145—C146—C51'—C52'	83 (2)
C67—C68—C73—C75	−156.1 (4)	C149—C150—C154—C156	39.2 (4)
C69—C68—C73—C75	24.8 (5)	C145—C150—C154—C156	−142.1 (3)
C71—C72—C76—C78	−100.6 (4)	C149—C150—C154—C155	−84.8 (3)
C67—C72—C76—C78	79.3 (4)	C145—C150—C154—C155	93.9 (3)
C71—C72—C76—C77	23.8 (5)	C157—N13—C158—C163	−74.3 (11)
C67—C72—C76—C77	−156.3 (3)	C157—N13—C158—C159	106.1 (10)
C85—C80—C81—C82	2.1 (5)	N13—C158—C159—C160	−178.5 (3)
N7—C80—C81—C82	−178.2 (3)	C163—C158—C159—C160	1.9 (5)
C85—C80—C81—C86	−177.2 (3)	N13—C158—C159—C164	2.5 (5)
N7—C80—C81—C86	2.4 (4)	C163—C158—C159—C164	−177.1 (3)
C80—C81—C82—C83	−1.1 (5)	C158—C159—C160—C161	−0.4 (6)
C86—C81—C82—C83	178.3 (3)	C164—C159—C160—C161	178.5 (4)
C81—C82—C83—C84	−0.3 (5)	C159—C160—C161—C162	−1.6 (7)
C82—C83—C84—C85	0.9 (5)	C160—C161—C162—C163	2.3 (7)
C83—C84—C85—C80	0.0 (4)	N13—C158—C163—C162	179.2 (3)
C83—C84—C85—C89	−178.0 (3)	C159—C158—C163—C162	−1.3 (6)
N7—C80—C85—C84	178.7 (3)	N13—C158—C163—C67'	5.6 (9)
C81—C80—C85—C84	−1.6 (4)	C159—C158—C163—C67'	−174.8 (8)
N7—C80—C85—C89	−3.2 (4)	N13—C158—C163—C167	−8.3 (7)
C81—C80—C85—C89	176.5 (3)	C159—C158—C163—C167	171.3 (5)
C82—C81—C86—C87	89.4 (5)	C161—C162—C163—C158	−0.8 (6)
C80—C81—C86—C87	−91.3 (4)	C161—C162—C163—C67'	172.4 (9)
C82—C81—C86—C88	−38.4 (5)	C161—C162—C163—C167	−173.7 (6)
C80—C81—C86—C88	140.9 (4)	C160—C159—C164—C166	−19.3 (5)
C84—C85—C89—C91	86.1 (4)	C158—C159—C164—C166	159.6 (4)
C80—C85—C89—C91	−91.8 (4)	C160—C159—C164—C165	105.6 (4)
C84—C85—C89—C90	−38.0 (4)	C158—C159—C164—C165	−75.5 (4)
C80—C85—C89—C90	144.1 (3)	C158—C163—C167—C169	−125.8 (9)
N8—C93—C94—C95	−179.8 (3)	C162—C163—C167—C169	46.7 (11)
C98—C93—C94—C95	−1.4 (5)	C158—C163—C167—C168	109.6 (9)
N8—C93—C94—C99	1.5 (5)	C162—C163—C167—C168	−77.9 (10)
C98—C93—C94—C99	179.9 (3)	C158—C163—C67'—C68'	151.1 (12)
C93—C94—C95—C96	−0.1 (5)	C162—C163—C67'—C68'	−22.1 (18)
C99—C94—C95—C96	178.5 (4)	C158—C163—C67'—C69'	−94.5 (14)
C94—C95—C96—C97	0.7 (6)	C162—C163—C67'—C69'	92.3 (13)
C95—C96—C97—C98	0.3 (6)