A tetra­nuclear organotin compound consisting of a core of three fused Sn₂O₂ rings

The crystal structure of the tetra­nuclear organotin compound 1,1,3,3,5,5,7,7-octa­butyl-7-((E)-2-cyano-3-{9-[2-(2-meth­oxy­eth­oxy)eth­yl]-9H-carbazol-3-yl}prop-2-eno­yloxy)-4,8-di­methyl-2,4,6,8-tetroxa-1,3,5,7-tetra­stannatri­cyclo­[4.2.0.0^2,5]oct-3-yl (E)-2-cyano-3-{9-[2-(2-meth­oxy­eth­oxy)eth­yl]-9H-carbazol-3-yl}prop-2-enoate, [Sn₄(C₄H₉)₈(C₂₁H₁₉N₂O₄)₂(CH₃O)₂([mu]₃-O)₂], con­sists of a core of three fused Sn₂O₂ rings. The central ring consists of two Sn atoms each coordinated by two n-butyl chains, two [mu]₃-bridging O atoms and one [mu]₂-bridging methano­late O atom. The peripheral Sn₂O₂ rings consist of one of the central ring Sn atoms, and an Sn coordinated by one [mu]₃-bridging O atom, one [mu]₂-bridging methano­late O atom, two n-butyl chains and the carboxyl­ate O atom of a (E)-2-cyano-3-{9-[2-(2-meth­oxy­eth­oxy)eth­yl]-9H-carbazol-3-yl}prop-2-enoate ligand (L). Despite an apparent centrosymmetric nature, the complex does not crystallize about an inversion centre. The structure packs with [pi]-[pi] inter­actions between carbazole moieties on adjacent mol­ecules.

S1. Introduction

Carb­oxy­lic acid derivatives of carbazole are of inter­est because of their useful applications in photoelectric and biological materials (Zhang et al., 2012; Kim et al., 2013). Organotin (IV) carboxyl­ates comprises the class of tin complexes which has attracted particular attention due to their potential cytotoxicity and biocide activity, as well as their industrial and agricultural applications (Iqbal et al., 2013; Gielen et al., 2005; Tariq et al., 2013). Our recent efforts have focused on the aspects of synthesis and biological activity of new organotin(IV) complexes with different RCOOH (R = carbazole) as ligands because carbazole and its derivatives have shown pronounced cytotoxicity, anti­cancer and anti­microbial activity. In our previous work, we have reported a series of organotin complexes and systematically studied their optical properties (Sun et al., 2011). As a continuation of this work, we have synthesized 1,1,3,3,5,5,7,7-o­cta­butyl-7-((E)-2-cyano-3-{9-[2-(2-meth­oxy­eth­oxy)­ethyl]-9H-carbazol-3-yl}prop-2-enoyl­oxy)-4,8-di­methyl-2,4,6,8-tetroxa-1,3,5,7-tetra­stannatri­cyclo­[4.2.0.0^2,5]oct-3-yl (E)-2-cyano-3-{9-[2-(2-meth­oxy­eth­oxy)­ethyl]-9H-carbazol-3-yl}prop-2-enoate, (I), and its crystal structure is reported here.

S2. Experimental

S2.1. Synthesis and crystallization

To a benzene solution (30 ml) of (E)-2-cyano-3-{9-[2-(2-meth­oxy­eth­oxy)­ethyl]-9H-carbazol-3-yl}acrylic acid (HL) (0.146 g, 0.4 mmol), n-Bu₂SnO (0.122 g, 0.4 mmol) was added under a nitro­gen atmosphere. A clear solution formed which was refluxed overnight by using a Dean–Stark apparatus. The solvent was removed under reduced pressure to afford a yellow solid. The crude product was dissolved in methyl­ene chloride, methanol dispersion, to give a yellow solid (yield 78%). ¹H NMR (400 MHz, CDCl₃): 3.13 (s, 6H), 3.33 (t, 4H), 3.50 (t, 4H), 3.92 (t,4H), 4.64 (t, 4H), 7.33 (t,2H), 7.52 (t, 2H), 7.68 (d, 2H), 7.77 (d, 2H), 8.17 (d, 2H), 8.31 (d, 2H), 8.45 (s, 2H), 8.85(s, 2H).

S2.2. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 1. The n-butyl chains and the oxygen chain were found to be rotationally disordered. This disorder was individually modeled in both cases with two orientations and relative occupancies of 7:1, 9:1 and 8:2, respectively, for the two parts. The C—C bond lengths of the n-butyl chains were restrained to 1.50 (1) Å. The Sn—C bond lengths were restrained to 2.10 (1) Å. The geometries of the three disordered parts were restrained to be similar. In the part of the oxygen chain, the bond lengths of C—C, C—O and N—C were restrained to 1.50 (1), 1.50 (1) and 1.50 (1) Å, respectively. The anisotropic displacement parameters of the disordered n-butyl chains and the oxygen chain groups in the direction of the bonds were restrained to be equal, with an s.u. value of 0.01 Ų. They were also restrained to have U^ij components, with an s.u. value of 0.04 Ų. All H atoms were placed in calculated positions and treated as riding, with C—H = 0.93–0.97 Å and U_iso(H) = 1.2 or 1.5U_eq(parent C atom).

S3. Results and discussion

In the solid-state structure of the title compound, (I) (Fig. 1), the individual molecule lacks all symmetry elements. The Sn^IV atom is coordinated by three O atoms and two C atoms. For example, the O9—Sn1—O2 moiety has the appearance of the axis in a rough trigonal bipyramid, in which the equatorial positions are occupied by atoms C66 and C70, and atom O7, and the axial positions by atoms O9 and O2. The coordination polyhedron consisting of atoms Sn2 to Sn4 is more distorted towards square-pyramidal but can be described in the same general way. The major deformations originate from constraints imposed by the rigid four-membered Sn₂O₂ rings. The central Sn₂O₂ ring is coplanar, with dihedral angles of 0.68 (14)°. The molecule involves a dimer ladder structure by virtue of µ₃-oxide bridges [Sn2—O7 = 2.049 (3) Å and Sn3—O8 = 2.044 (3) Å], which form the central R₄Sn₂O₂ core (R = n-butyl). Atoms O7 and O8 of this unit are tridentate linking three Sn atoms, two central Sn₂O₂ rings (Sn2 and Sn3) and one peripheral Sn₂O₂ ring (Sn4 or Sn1). The additional links between the central and peripheral ring Sn atoms are provided by two bidentate O atoms from two deprotonated methanol molecules that form asymmetrical bridges [Sn3—O10 = 2.166 (3) Å and Sn4—O10 = 2.222 (3) Å]. Furthermore, each peripheral ring Sn atom (Sn1 or Sn4) is also coordinated by a monodentate (E)-2-cyano-3-{9-[2-(2-meth­oxy­eth­oxy)­ethyl]-9H-carbazol-3-yl}prop-2-enoate ligand (L) ligand [Sn4—O11 = 2.151 (3) Å]. The Sn—O bond lengths are very similar (Table 2). The Sn₄O₄ core and the associated carbazole ligands can be considered as a fairly planar entity, with the pendant n-butyl ligands extending roughly perpendicular to this plane (Fig. 2). The molecule is not a centrosymmetric dimer. Inspection of the structure shows that the primary difference around the Sn₄O₄ core is the orientation of the n-butyl chains and the oxygen chain. The n-butyl chains are disordered over two sets of sites, with occupancy ratios of 0.738 (6):0.262 (6) (C43—C44—C45—C46), 0.131 (5):0.869 (5) (C47—C48—C49—C77) and 0.80 (3):0.20 (3) (C67—C68—C69—C70). The oxygen chain of the carbazole ligand is disordered over two sets of sites, with an occupancy ratio of 0.80 (6):0.20 (6).

A better understanding of the packing structure of (I) can be achieved through π–π stacking inter­actions and intra­molecular inter­actions. The conformation of (I) is stabilized by intra­molecular C—H···O hydrogen bonds [C···O = 2.798 (5)–3.544 (6) Å and H···O = 2.39–2.58 Å; Table 3]. The packing involves π–π stacking inter­actions between pairs of adjacent carbazole moieties (Fig. 3).

Related literature

For related literature, see: Gielen et al. (2005); Iqbal et al. (2013); Kim et al. (2013); Sun et al. (2011); Tariq et al. (2013).

Computing details

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures

Fig. 1. The molecular structure of the title compound, (I), shown with 30% probability displacement ellipsoids.

Fig. 2. The disposition of the pendant n-butyl ligands perpendicular to the plane of the Sn₂O₂ core and the ligands in the molecule of (I). All H atoms have been omitted for clarity.

Fig. 3. A packing diagram of (I), shown with 50% probability displacement ellipsoids. All H atoms have been omitted for clarity.

1,1,3,3,5,5,7,7-Octabutyl-7-[((E)-2-cyano-3-{9-[2-(2-methoxyethoxy)ethyl]-9H-carbazol-3-yl}prop-2-enoyl)oxy]-4,8-dimethyl-2,4,6,8-tetroxa-1,3,5,7-tetrastannatricyclo[4.2.0.0^2,5]oct-3-yl (E)-2-cyano-3-{9-[2-(2-methoxyethoxy)ethyl]-9H-carbazol-3-yl}prop-2-enoate

Crystal data

[Sn4(C4H9)8(C21H19N2O4)2(CH3O)2O2]	Z = 2
Mr = 1752.49	F(000) = 1792
Triclinic, P1	Dx = 1.444 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.1321 (8) Å	Cell parameters from 9998 reflections
b = 20.371 (1) Å	θ = 2.3–26.7°
c = 21.0194 (2) Å	µ = 1.28 mm^−1
α = 62.239 (1)°	T = 296 K
β = 88.847 (1)°	Block, yellow
γ = 74.372 (1)°	0.14 × 0.13 × 0.12 mm
V = 4030.8 (5) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	14660 independent reflections
Radiation source: fine-focus sealed tube	11431 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.023
phi and ω scans	θmax = 25.5°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 2002)	h = −13→13
Tmin = 0.841, Tmax = 0.861	k = −24→24
29493 measured reflections	l = −25→25

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)] = 0.039	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.122	H-atom parameters constrained
S = 1.09	w = 1/[σ^2(Fo^2) + (0.0637P)^2 + 4.9532P] where P = (Fo^2 + 2Fc^2)/3
14660 reflections	(Δ/σ)max = 0.096
1050 parameters	Δρmax = 1.76 e Å^−3
588 restraints	Δρmin = −1.25 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. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	1.2329 (4)	−0.2030 (3)	0.7192 (3)	0.0309 (10)
H1A	1.2277	−0.2074	0.6773	0.037*
C2	1.2883 (4)	−0.2666 (3)	0.7847 (3)	0.0346 (11)
H2A	1.3207	−0.3149	0.7869	0.041*
C3	1.2971 (5)	−0.2608 (3)	0.8476 (3)	0.0364 (11)
H3A	1.3363	−0.3048	0.8907	0.044*
C4	1.2481 (4)	−0.1901 (2)	0.8470 (3)	0.0310 (10)
H4A	1.2533	−0.1864	0.8892	0.037*
C5	1.1915 (4)	−0.1255 (2)	0.7820 (2)	0.0237 (9)
C6	1.1849 (4)	−0.1319 (2)	0.7180 (2)	0.0254 (9)
C7	1.1320 (4)	−0.0442 (2)	0.7605 (2)	0.0223 (9)
C8	1.1086 (4)	−0.0004 (2)	0.7968 (2)	0.0228 (9)
H8A	1.1337	−0.0244	0.8463	0.027*
C9	1.0100 (4)	0.1146 (2)	0.6832 (2)	0.0265 (10)
H9A	0.9692	0.1675	0.6579	0.032*
C10	1.0476 (4)	0.0793 (2)	0.7591 (2)	0.0222 (9)
C11	1.0320 (4)	0.0731 (2)	0.6464 (2)	0.0263 (9)
H11A	1.0072	0.0970	0.5969	0.032*
C12	1.0934 (4)	−0.0069 (2)	0.6858 (2)	0.0234 (9)
C13	0.9021 (4)	0.2541 (2)	0.7107 (3)	0.0266 (10)
C14	0.9646 (4)	0.1960 (2)	0.7808 (2)	0.0229 (9)
C15	1.0259 (4)	0.1215 (2)	0.7998 (2)	0.0225 (9)
H15A	1.0607	0.0915	0.8481	0.027*
C16	0.9598 (4)	0.2227 (2)	0.8366 (2)	0.0247 (9)
C17	1.1067 (4)	−0.0426 (3)	0.5856 (2)	0.0317 (10)
H17A	1.0309	0.0004	0.5614	0.038*
H17B	1.0952	−0.0872	0.5836	0.038*
C18	1.2190 (5)	−0.0212 (3)	0.5457 (2)	0.0449 (14)
H18A	1.2367	0.0200	0.5513	0.054*
H18B	1.2932	−0.0659	0.5654	0.054*
C19	1.2847 (5)	0.0231 (4)	0.4282 (3)	0.0559 (16)
H19A	1.3575	−0.0221	0.4434	0.067*
H19B	1.3100	0.0630	0.4325	0.067*
C20	1.2329 (6)	0.0523 (4)	0.3507 (3)	0.0617 (17)
H20A	1.3008	0.0512	0.3213	0.074*
H20B	1.1844	0.0202	0.3486	0.074*
C21	1.1111 (7)	0.1668 (4)	0.2483 (4)	0.0816 (16)
H21A	1.1818	0.1644	0.2218	0.122*
H21B	1.0645	0.2201	0.2320	0.122*
H21C	1.0578	0.1405	0.2405	0.122*
C22	0.3180 (4)	1.1479 (2)	0.7802 (2)	0.0237 (9)
C23	0.2662 (4)	1.2204 (3)	0.7763 (3)	0.0306 (10)
H23A	0.2703	1.2269	0.8170	0.037*
C24	0.2089 (4)	1.2816 (2)	0.7104 (3)	0.0321 (11)
H24A	0.1726	1.3302	0.7067	0.038*
C25	0.2037 (4)	1.2727 (3)	0.6481 (3)	0.0349 (11)
H25A	0.1643	1.3153	0.6040	0.042*
C26	0.2569 (4)	1.2009 (2)	0.6519 (2)	0.0280 (10)
H26A	0.2541	1.1950	0.6107	0.034*
C27	0.3143 (4)	1.1378 (2)	0.7182 (2)	0.0237 (9)
C28	0.3755 (4)	1.0564 (2)	0.7426 (2)	0.0220 (9)
C29	0.4014 (4)	1.0111 (2)	0.7081 (2)	0.0231 (9)
H29A	0.3778	1.0337	0.6585	0.028*
C30	0.4631 (4)	0.9314 (2)	0.7481 (2)	0.0243 (9)
C31	0.4963 (4)	0.8981 (2)	0.8241 (2)	0.0271 (10)
H31A	0.5362	0.8452	0.8509	0.033*
C32	0.4711 (4)	0.9421 (2)	0.8588 (2)	0.0273 (10)
H32A	0.4934	0.9195	0.9085	0.033*
C33	0.4112 (4)	1.0214 (2)	0.8178 (2)	0.0224 (9)
C34	0.4868 (4)	0.8875 (2)	0.7089 (2)	0.0256 (9)
H34A	0.4530	0.9166	0.6603	0.031*
C35	0.5480 (4)	0.8127 (2)	0.7288 (2)	0.0245 (9)
C36	0.6093 (4)	0.7553 (2)	0.8003 (3)	0.0293 (10)
C37	0.5525 (4)	0.7856 (2)	0.6728 (3)	0.0279 (10)
C38	0.2929 (7)	0.9457 (4)	1.1941 (4)	0.0496 (14)	0.799 (6)
H38A	0.2228	0.9303	1.2176	0.074*	0.799 (6)
H38B	0.3096	0.9833	1.2052	0.074*	0.799 (6)
H38C	0.3656	0.9011	1.2111	0.074*	0.799 (6)
C39	0.2417 (7)	0.9240 (4)	1.1007 (4)	0.0464 (10)	0.799 (6)
H39A	0.1823	0.8997	1.1303	0.056*	0.799 (6)
H39B	0.3191	0.8838	1.1084	0.056*	0.799 (6)
C40	0.1875 (7)	0.9688 (4)	1.0206 (4)	0.0434 (10)	0.799 (6)
H40A	0.1444	0.9394	1.0093	0.052*	0.799 (6)
H40B	0.1276	1.0182	1.0101	0.052*	0.799 (6)
C41	0.2984 (9)	1.0550 (5)	0.9586 (6)	0.0336 (9)	0.799 (6)
H41A	0.3160	1.0586	1.0017	0.040*	0.799 (6)
H41B	0.2199	1.0941	0.9318	0.040*	0.799 (6)
C42	0.4070 (16)	1.0678 (9)	0.9108 (9)	0.0300 (9)	0.799 (6)
H42A	0.4269	1.1136	0.9052	0.036*	0.799 (6)
H42B	0.4812	1.0237	0.9353	0.036*	0.799 (6)
C43	0.2760 (16)	0.7917 (12)	0.4218 (11)	0.050 (2)	0.261 (6)
H43A	0.2210	0.7615	0.4472	0.074*	0.261 (6)
H43B	0.2822	0.7940	0.3753	0.074*	0.261 (6)
H43C	0.2429	0.8433	0.4156	0.074*	0.261 (6)
C44	0.4028 (15)	0.7550 (12)	0.4644 (9)	0.043 (2)	0.261 (6)
H44A	0.4611	0.7849	0.4427	0.052*	0.261 (6)
H44B	0.4392	0.7017	0.4746	0.052*	0.261 (6)
C45	0.3536 (18)	0.7621 (12)	0.5290 (9)	0.0420 (18)	0.261 (6)
H45A	0.2635	0.7704	0.5247	0.050*	0.261 (6)
H45B	0.3677	0.8078	0.5274	0.050*	0.261 (6)
C46	0.4108 (12)	0.693 (2)	0.6024 (13)	0.0390 (18)	0.261 (6)
H46A	0.3938	0.6477	0.6057	0.047*	0.261 (6)
H46B	0.3716	0.7032	0.6399	0.047*	0.261 (6)
C47	1.125 (3)	0.4961 (19)	0.8140 (18)	0.042 (3)	0.131 (5)
H47A	1.0903	0.4557	0.8192	0.064*	0.131 (5)
H47B	1.2150	0.4773	0.8201	0.064*	0.131 (5)
H47C	1.0961	0.5400	0.7667	0.064*	0.131 (5)
C47'	1.2427 (6)	0.5476 (4)	0.7488 (4)	0.0619 (15)	0.869 (5)
H47D	1.2561	0.4926	0.7758	0.093*	0.869 (5)
H47E	1.3154	0.5598	0.7587	0.093*	0.869 (5)
H47F	1.2287	0.5644	0.6980	0.093*	0.869 (5)
C48	1.083 (3)	0.5201 (17)	0.8707 (14)	0.039 (3)	0.131 (5)
H48A	1.0674	0.4762	0.9122	0.047*	0.131 (5)
H48B	1.1516	0.5321	0.8867	0.047*	0.131 (5)
C48'	1.1277 (5)	0.5892 (4)	0.7713 (4)	0.0505 (11)	0.869 (5)
H48C	1.1528	0.5901	0.8148	0.061*	0.869 (5)
H48D	1.0950	0.6425	0.7332	0.061*	0.869 (5)
C49	0.968 (3)	0.5884 (17)	0.8467 (17)	0.036 (2)	0.131 (5)
H49A	0.9940	0.6344	0.8337	0.043*	0.131 (5)
H49B	0.9199	0.5806	0.8873	0.043*	0.131 (5)
C49'	1.0246 (5)	0.5493 (3)	0.7856 (3)	0.0446 (10)	0.869 (5)
H49C	1.0047	0.5455	0.7429	0.054*	0.869 (5)
H49D	1.0572	0.4969	0.8252	0.054*	0.869 (5)
C51	1.0233 (6)	0.7876 (4)	0.5747 (3)	0.0539 (15)
H51A	1.0708	0.8165	0.5395	0.081*
H51B	1.0762	0.7359	0.6057	0.081*
H51C	0.9923	0.8127	0.6032	0.081*
C52	0.9122 (5)	0.7838 (3)	0.5359 (3)	0.0385 (12)
H52A	0.8603	0.8361	0.5037	0.046*
H52B	0.9439	0.7590	0.5067	0.046*
C53	0.7242 (4)	0.7332 (3)	0.5502 (2)	0.0309 (10)
H53A	0.7588	0.7078	0.5218	0.037*
H53B	0.6727	0.7852	0.5167	0.037*
C54	0.8324 (4)	0.7393 (3)	0.5884 (2)	0.0317 (10)
H54A	0.7987	0.7650	0.6166	0.038*
H54B	0.8850	0.6875	0.6216	0.038*
C55	1.1368 (6)	0.5842 (3)	0.5337 (3)	0.0560 (16)
H55A	1.2214	0.5688	0.5238	0.084*
H55B	1.1325	0.6150	0.5574	0.084*
H55C	1.0814	0.6142	0.4890	0.084*
C56	1.0980 (5)	0.5132 (3)	0.5819 (3)	0.0447 (13)
H56A	1.1570	0.4823	0.6258	0.054*
H56B	1.1037	0.4823	0.5574	0.054*
C57	0.9668 (4)	0.5299 (2)	0.6024 (3)	0.0311 (10)
H57A	0.9603	0.5619	0.6257	0.037*
H57B	0.9075	0.5595	0.5586	0.037*
C58	0.9298 (5)	0.4584 (3)	0.6524 (3)	0.0355 (11)
H58A	0.9938	0.4266	0.6941	0.043*
H58B	0.9298	0.4287	0.6273	0.043*
C59	0.5340 (6)	0.2882 (4)	0.6989 (4)	0.080 (2)
H59A	0.4797	0.2555	0.7123	0.120*
H59B	0.5912	0.2726	0.7404	0.120*
H59C	0.5807	0.2836	0.6615	0.120*
C60	0.4522 (6)	0.3755 (3)	0.6699 (3)	0.0578 (16)
H60A	0.3942	0.3912	0.6280	0.069*
H60B	0.4032	0.3799	0.7072	0.069*
C61	0.5361 (5)	0.4292 (3)	0.6488 (3)	0.0473 (13)
H61A	0.5906	0.4206	0.6151	0.057*
H61B	0.4835	0.4826	0.6240	0.057*
C62	0.6162 (5)	0.4171 (3)	0.7126 (2)	0.0328 (11)
H62A	0.6599	0.3622	0.7404	0.039*
H62B	0.5604	0.4311	0.7432	0.039*
C63	0.4750 (5)	0.2388 (4)	0.9193 (3)	0.0514 (15)
H63A	0.4228	0.2108	0.9514	0.077*
H63B	0.5034	0.2170	0.8879	0.077*
H63C	0.4276	0.2923	0.8908	0.077*
C64	0.5894 (4)	0.2327 (3)	0.9641 (3)	0.0346 (11)
H64A	0.5607	0.2544	0.9961	0.042*
H64B	0.6363	0.1785	0.9937	0.042*
C65	0.6748 (4)	0.2759 (3)	0.9150 (2)	0.0295 (10)
H65A	0.6255	0.3288	0.8825	0.035*
H65B	0.7080	0.2515	0.8857	0.035*
C66	0.7844 (4)	0.2772 (2)	0.9567 (2)	0.0262 (9)
H66A	0.8335	0.2242	0.9890	0.031*
H66B	0.7506	0.3010	0.9865	0.031*
C67	1.179 (3)	0.1817 (17)	1.0564 (15)	0.031 (3)	0.20 (3)
H67A	1.1546	0.1711	1.0194	0.046*	0.20 (3)
H67B	1.1538	0.1489	1.1015	0.046*	0.20 (3)
H67C	1.2686	0.1715	1.0617	0.046*	0.20 (3)
C67'	1.1400 (11)	0.1682 (5)	1.0646 (5)	0.0443 (15)	0.80 (3)
H67D	1.1021	0.1658	1.0254	0.066*	0.80 (3)
H67E	1.1135	0.1357	1.1092	0.066*	0.80 (3)
H67F	1.2298	0.1505	1.0675	0.066*	0.80 (3)
C68	1.117 (3)	0.2646 (18)	1.0358 (18)	0.029 (2)	0.20 (3)
H68A	1.0265	0.2736	1.0322	0.035*	0.20 (3)
H68B	1.1404	0.2741	1.0742	0.035*	0.20 (3)
C68'	1.1002 (9)	0.2503 (6)	1.0516 (5)	0.0401 (13)	0.80 (3)
H68C	1.1307	0.2516	1.0937	0.048*	0.80 (3)
H68D	1.0091	0.2691	1.0451	0.048*	0.80 (3)
C69	1.146 (4)	0.3179 (19)	0.9706 (17)	0.028 (2)	0.20 (3)
H69A	1.2368	0.3075	0.9743	0.034*	0.20 (3)
H69B	1.1105	0.3694	0.9657	0.034*	0.20 (3)
C69'	1.1502 (10)	0.3041 (6)	0.9847 (5)	0.0378 (11)	0.80 (3)
H69C	1.2413	0.2854	0.9921	0.045*	0.80 (3)
H69D	1.1258	0.3555	0.9805	0.045*	0.80 (3)
C70	1.1015 (11)	0.320 (2)	0.8995 (19)	0.0278 (19)	0.20 (3)
H70A	1.1442	0.2711	0.9004	0.033*	0.20 (3)
H70B	1.1225	0.3612	0.8579	0.033*	0.20 (3)
C70'	1.1041 (5)	0.3108 (7)	0.9127 (5)	0.0351 (12)	0.80 (3)
H70C	1.1436	0.2620	0.9130	0.042*	0.80 (3)
H70D	1.1326	0.3505	0.8735	0.042*	0.80 (3)
C71	0.3690 (5)	0.4255 (3)	0.9562 (3)	0.0497 (14)
H71A	0.2896	0.4379	0.9732	0.075*
H71B	0.4295	0.3852	0.9965	0.075*
H71C	0.3594	0.4081	0.9219	0.075*
C72	0.4135 (4)	0.4966 (3)	0.9205 (3)	0.0314 (10)
H72A	0.4208	0.5147	0.9552	0.038*
H72B	0.3512	0.5374	0.8805	0.038*
C73	0.5394 (4)	0.4817 (2)	0.8924 (2)	0.0289 (10)
H73A	0.6012	0.4405	0.9324	0.035*
H73B	0.5316	0.4638	0.8576	0.035*
C74	0.5868 (4)	0.5523 (2)	0.8565 (2)	0.0271 (10)
H74A	0.5930	0.5706	0.8911	0.032*
H74B	0.5254	0.5931	0.8161	0.032*
C75	0.6455 (5)	0.5805 (3)	0.5209 (2)	0.0362 (11)
H75A	0.6730	0.5287	0.5271	0.054*
H75B	0.6985	0.6097	0.4912	0.054*
H75C	0.5602	0.6050	0.4979	0.054*
C76	0.8598 (5)	0.4331 (3)	0.9872 (2)	0.0379 (12)
H76A	0.8351	0.4858	0.9787	0.057*
H76B	0.9423	0.4066	1.0139	0.057*
H76C	0.8011	0.4073	1.0145	0.057*
C38'	0.331 (2)	0.9009 (9)	1.2053 (10)	0.048 (3)	0.201 (6)
H38D	0.3890	0.9307	1.1968	0.072*	0.201 (6)
H38E	0.3636	0.8513	1.2476	0.072*	0.201 (6)
H38F	0.2516	0.9281	1.2126	0.072*	0.201 (6)
C39'	0.205 (2)	0.9575 (14)	1.0866 (10)	0.043 (2)	0.201 (6)
H39C	0.1257	0.9569	1.1069	0.051*	0.201 (6)
H39D	0.2188	1.0069	1.0742	0.051*	0.201 (6)
C40'	0.198 (2)	0.9484 (14)	1.0185 (9)	0.0406 (18)	0.201 (6)
H40C	0.2360	0.8944	1.0313	0.049*	0.201 (6)
H40D	0.1108	0.9630	0.9997	0.049*	0.201 (6)
C41'	0.315 (4)	1.061 (2)	0.951 (2)	0.0336 (14)	0.201 (6)
H41C	0.2498	1.1099	0.9271	0.040*	0.201 (6)
H41D	0.3451	1.0533	0.9977	0.040*	0.201 (6)
C42'	0.400 (7)	1.062 (4)	0.915 (4)	0.0309 (12)	0.201 (6)
H42C	0.4639	1.0119	0.9406	0.037*	0.201 (6)
H42D	0.4372	1.1005	0.9134	0.037*	0.201 (6)
C43'	0.3487 (9)	0.8433 (5)	0.3923 (4)	0.0698 (18)	0.739 (6)
H43D	0.4061	0.8093	0.3783	0.105*	0.739 (6)
H43E	0.3653	0.8927	0.3709	0.105*	0.739 (6)
H43F	0.2640	0.8504	0.3759	0.105*	0.739 (6)
C44'	0.3650 (9)	0.8089 (5)	0.4723 (4)	0.0658 (15)	0.739 (6)
H44C	0.3000	0.8415	0.4853	0.079*	0.739 (6)
H44D	0.4450	0.8118	0.4865	0.079*	0.739 (6)
C45'	0.3615 (8)	0.7225 (4)	0.5192 (4)	0.0587 (13)	0.739 (6)
H45C	0.2759	0.7206	0.5156	0.070*	0.739 (6)
H45D	0.4131	0.6904	0.5006	0.070*	0.739 (6)
C46'	0.4098 (7)	0.6907 (10)	0.5990 (5)	0.0539 (14)	0.739 (6)
H46C	0.3911	0.6419	0.6276	0.065*	0.739 (6)
H46D	0.3642	0.7268	0.6153	0.065*	0.739 (6)
C77	0.883 (2)	0.6033 (14)	0.7837 (15)	0.034 (2)	0.131 (5)
H77A	0.9339	0.5933	0.7493	0.041*	0.131 (5)
H77B	0.8332	0.6574	0.7594	0.041*	0.131 (5)
C77'	0.9045 (5)	0.5894 (3)	0.8039 (3)	0.0396 (11)	0.869 (5)
H77C	0.8726	0.6425	0.7654	0.047*	0.869 (5)
H77D	0.9226	0.5909	0.8481	0.047*	0.869 (5)
N1	0.3763 (3)	1.0774 (2)	0.8393 (2)	0.0279 (7)
N2	1.1256 (3)	−0.0605 (2)	0.6609 (2)	0.0273 (8)
N3	0.6617 (4)	0.7087 (2)	0.8558 (2)	0.0393 (10)
N4	0.8480 (4)	0.3015 (2)	0.6551 (2)	0.0406 (10)
O1	0.9972 (3)	0.17607 (17)	0.90098 (16)	0.0302 (7)
O2	0.9121 (3)	0.29700 (16)	0.81158 (16)	0.0269 (7)
O3	1.1553 (5)	0.1294 (3)	0.3254 (3)	0.0758 (12)
O4	0.2646 (4)	0.9783 (3)	1.1191 (2)	0.0483 (10)	0.799 (6)
O5	1.1864 (3)	0.0032 (2)	0.47258 (19)	0.0524 (10)
O6	0.2900 (5)	0.9817 (3)	0.9774 (3)	0.0382 (9)	0.799 (6)
O7	0.8164 (3)	0.43766 (15)	0.80147 (15)	0.0247 (6)
O8	0.7015 (3)	0.57228 (16)	0.70807 (16)	0.0295 (7)
O9	0.8610 (3)	0.43268 (16)	0.91992 (16)	0.0263 (7)
O10	0.6525 (3)	0.57746 (17)	0.58985 (16)	0.0281 (7)
O11	0.6053 (3)	0.71172 (17)	0.69844 (16)	0.0312 (7)
O12	0.5106 (3)	0.83084 (18)	0.60947 (17)	0.0355 (8)
O4'	0.3140 (16)	0.8899 (9)	1.1436 (8)	0.046 (2)	0.201 (6)
O6'	0.263 (2)	0.9966 (12)	0.9618 (11)	0.0370 (16)	0.201 (6)
Sn1	0.90601 (3)	0.338099 (16)	0.890121 (15)	0.02190 (9)
Sn2	0.76415 (3)	0.532336 (16)	0.818172 (15)	0.02295 (9)
Sn3	0.75126 (3)	0.478278 (16)	0.690719 (15)	0.02330 (9)
Sn4	0.60702 (3)	0.671698 (16)	0.619967 (16)	0.02539 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.032 (3)	0.029 (2)	0.043 (3)	−0.011 (2)	0.011 (2)	−0.025 (2)
C2	0.034 (3)	0.024 (2)	0.052 (3)	−0.008 (2)	0.013 (2)	−0.023 (2)
C3	0.038 (3)	0.023 (2)	0.041 (3)	−0.005 (2)	0.006 (2)	−0.011 (2)
C4	0.041 (3)	0.022 (2)	0.030 (3)	−0.010 (2)	0.010 (2)	−0.012 (2)
C5	0.022 (2)	0.022 (2)	0.030 (2)	−0.0079 (18)	0.0103 (18)	−0.015 (2)
C6	0.025 (2)	0.024 (2)	0.032 (2)	−0.0089 (19)	0.0088 (19)	−0.016 (2)
C7	0.023 (2)	0.020 (2)	0.026 (2)	−0.0083 (17)	0.0089 (18)	−0.0109 (19)
C8	0.024 (2)	0.024 (2)	0.023 (2)	−0.0091 (18)	0.0088 (18)	−0.0122 (19)
C9	0.028 (2)	0.016 (2)	0.030 (2)	−0.0039 (18)	0.0035 (19)	−0.0082 (19)
C10	0.022 (2)	0.021 (2)	0.028 (2)	−0.0092 (17)	0.0078 (18)	−0.0142 (19)
C11	0.030 (2)	0.026 (2)	0.019 (2)	−0.0076 (19)	0.0034 (18)	−0.0089 (19)
C12	0.023 (2)	0.023 (2)	0.028 (2)	−0.0061 (18)	0.0051 (18)	−0.0148 (19)
C13	0.029 (2)	0.021 (2)	0.033 (3)	−0.0079 (19)	0.012 (2)	−0.016 (2)
C14	0.025 (2)	0.021 (2)	0.027 (2)	−0.0096 (18)	0.0109 (18)	−0.0134 (19)
C15	0.022 (2)	0.021 (2)	0.022 (2)	−0.0074 (18)	0.0055 (17)	−0.0081 (18)
C16	0.024 (2)	0.025 (2)	0.035 (3)	−0.0104 (18)	0.0126 (19)	−0.020 (2)
C17	0.030 (3)	0.036 (3)	0.030 (2)	−0.001 (2)	−0.001 (2)	−0.021 (2)
C18	0.026 (3)	0.076 (4)	0.026 (3)	0.004 (3)	−0.001 (2)	−0.029 (3)
C19	0.038 (3)	0.084 (5)	0.055 (4)	−0.025 (3)	0.025 (3)	−0.037 (4)
C20	0.049 (4)	0.081 (5)	0.072 (4)	−0.027 (3)	0.032 (3)	−0.047 (4)
C21	0.081 (2)	0.087 (2)	0.0738 (19)	−0.0262 (17)	0.0081 (16)	−0.0351 (16)
C22	0.021 (2)	0.020 (2)	0.032 (2)	−0.0076 (17)	0.0058 (19)	−0.0126 (19)
C23	0.029 (2)	0.028 (2)	0.047 (3)	−0.012 (2)	0.013 (2)	−0.025 (2)
C24	0.028 (3)	0.017 (2)	0.049 (3)	−0.0061 (19)	0.011 (2)	−0.014 (2)
C25	0.035 (3)	0.018 (2)	0.042 (3)	−0.006 (2)	0.010 (2)	−0.008 (2)
C26	0.029 (2)	0.021 (2)	0.031 (2)	−0.0065 (19)	0.005 (2)	−0.011 (2)
C27	0.023 (2)	0.019 (2)	0.029 (2)	−0.0067 (18)	0.0105 (18)	−0.0120 (19)
C28	0.020 (2)	0.018 (2)	0.027 (2)	−0.0061 (17)	0.0064 (18)	−0.0104 (19)
C29	0.023 (2)	0.022 (2)	0.024 (2)	−0.0070 (18)	0.0044 (18)	−0.0102 (19)
C30	0.025 (2)	0.023 (2)	0.031 (2)	−0.0082 (18)	0.0102 (19)	−0.017 (2)
C31	0.029 (2)	0.017 (2)	0.030 (2)	−0.0018 (18)	0.0033 (19)	−0.0090 (19)
C32	0.029 (2)	0.023 (2)	0.024 (2)	−0.0052 (19)	0.0012 (19)	−0.0085 (19)
C33	0.024 (2)	0.020 (2)	0.026 (2)	−0.0073 (17)	0.0060 (18)	−0.0122 (19)
C34	0.030 (2)	0.022 (2)	0.024 (2)	−0.0092 (19)	0.0064 (19)	−0.0101 (19)
C35	0.026 (2)	0.021 (2)	0.028 (2)	−0.0088 (18)	0.0084 (19)	−0.0123 (19)
C36	0.034 (3)	0.018 (2)	0.040 (3)	−0.009 (2)	0.011 (2)	−0.017 (2)
C37	0.031 (3)	0.021 (2)	0.036 (3)	−0.0092 (19)	0.013 (2)	−0.017 (2)
C38	0.048 (2)	0.050 (2)	0.0469 (17)	−0.0163 (16)	0.0076 (15)	−0.0196 (15)
C39	0.0459 (15)	0.0447 (15)	0.0457 (13)	−0.0149 (12)	0.0108 (12)	−0.0188 (11)
C40	0.0426 (14)	0.0416 (15)	0.0453 (14)	−0.0146 (11)	0.0102 (11)	−0.0192 (11)
C41	0.0347 (14)	0.0338 (13)	0.0335 (13)	−0.0073 (11)	0.0071 (11)	−0.0186 (11)
C42	0.0321 (14)	0.0303 (14)	0.0305 (13)	−0.0068 (11)	0.0045 (11)	−0.0181 (11)
C43	0.048 (3)	0.051 (3)	0.048 (3)	−0.0134 (19)	0.0021 (17)	−0.0229 (19)
C44	0.042 (2)	0.043 (2)	0.043 (2)	−0.0114 (15)	0.0052 (14)	−0.0203 (15)
C45	0.0387 (18)	0.042 (2)	0.043 (2)	−0.0110 (14)	0.0049 (13)	−0.0188 (14)
C46	0.0360 (17)	0.040 (2)	0.042 (2)	−0.0114 (16)	0.0057 (16)	−0.0196 (15)
C47	0.042 (4)	0.042 (3)	0.042 (3)	−0.0112 (18)	0.0058 (19)	−0.020 (2)
C47'	0.0526 (18)	0.069 (2)	0.060 (2)	−0.0212 (15)	0.0112 (15)	−0.0254 (15)
C48	0.038 (3)	0.039 (3)	0.039 (3)	−0.0123 (17)	0.0038 (15)	−0.0171 (16)
C48'	0.0445 (14)	0.0522 (16)	0.0514 (17)	−0.0210 (12)	0.0042 (13)	−0.0183 (12)
C49	0.035 (2)	0.036 (2)	0.037 (3)	−0.0141 (17)	0.0035 (13)	−0.0168 (16)
C49'	0.0416 (13)	0.0452 (15)	0.0467 (16)	−0.0177 (11)	0.0048 (12)	−0.0190 (12)
C51	0.064 (4)	0.065 (4)	0.054 (4)	−0.039 (3)	0.024 (3)	−0.036 (3)
C52	0.048 (3)	0.032 (3)	0.038 (3)	−0.019 (2)	0.013 (2)	−0.016 (2)
C53	0.040 (3)	0.023 (2)	0.026 (2)	−0.010 (2)	0.010 (2)	−0.009 (2)
C54	0.040 (3)	0.027 (2)	0.029 (2)	−0.010 (2)	0.011 (2)	−0.014 (2)
C55	0.060 (4)	0.040 (3)	0.062 (4)	−0.020 (3)	0.028 (3)	−0.018 (3)
C56	0.048 (3)	0.032 (3)	0.055 (3)	−0.013 (2)	0.030 (3)	−0.022 (3)
C57	0.034 (3)	0.024 (2)	0.034 (3)	−0.005 (2)	0.010 (2)	−0.015 (2)
C58	0.043 (3)	0.026 (2)	0.038 (3)	−0.007 (2)	0.021 (2)	−0.017 (2)
C59	0.074 (5)	0.086 (5)	0.130 (7)	−0.054 (4)	0.047 (5)	−0.077 (5)
C60	0.053 (4)	0.063 (4)	0.066 (4)	−0.030 (3)	0.004 (3)	−0.031 (3)
C61	0.052 (3)	0.047 (3)	0.044 (3)	−0.022 (3)	0.008 (3)	−0.019 (3)
C62	0.040 (3)	0.030 (2)	0.032 (3)	−0.017 (2)	0.009 (2)	−0.014 (2)
C63	0.047 (3)	0.067 (4)	0.071 (4)	−0.034 (3)	0.025 (3)	−0.049 (3)
C64	0.037 (3)	0.031 (3)	0.044 (3)	−0.015 (2)	0.014 (2)	−0.022 (2)
C65	0.033 (3)	0.027 (2)	0.033 (3)	−0.012 (2)	0.007 (2)	−0.016 (2)
C66	0.029 (2)	0.022 (2)	0.026 (2)	−0.0083 (19)	0.0065 (19)	−0.0097 (19)
C67	0.030 (3)	0.030 (3)	0.031 (3)	−0.0090 (18)	0.0042 (19)	−0.0132 (18)
C67'	0.045 (2)	0.0418 (17)	0.046 (2)	−0.0133 (16)	0.0043 (17)	−0.0198 (15)
C68	0.029 (2)	0.029 (3)	0.029 (2)	−0.0093 (16)	0.0039 (15)	−0.0136 (16)
C68'	0.0402 (18)	0.0413 (17)	0.0387 (17)	−0.0129 (13)	0.0037 (13)	−0.0187 (13)
C69	0.028 (2)	0.029 (2)	0.029 (2)	−0.0087 (16)	0.0038 (13)	−0.0135 (15)
C69'	0.0357 (14)	0.0402 (16)	0.0375 (17)	−0.0112 (12)	0.0025 (11)	−0.0184 (13)
C70	0.0267 (18)	0.028 (3)	0.029 (2)	−0.0086 (17)	0.0044 (15)	−0.0135 (16)
C70'	0.0318 (14)	0.0372 (18)	0.0370 (17)	−0.0101 (13)	0.0039 (13)	−0.0182 (14)
C71	0.054 (4)	0.042 (3)	0.068 (4)	−0.024 (3)	0.030 (3)	−0.034 (3)
C72	0.028 (2)	0.028 (2)	0.041 (3)	−0.005 (2)	0.006 (2)	−0.020 (2)
C73	0.030 (3)	0.027 (2)	0.036 (3)	−0.008 (2)	0.010 (2)	−0.020 (2)
C74	0.030 (2)	0.023 (2)	0.031 (2)	−0.0043 (19)	0.0069 (19)	−0.017 (2)
C75	0.043 (3)	0.040 (3)	0.031 (3)	−0.010 (2)	0.005 (2)	−0.022 (2)
C76	0.051 (3)	0.038 (3)	0.028 (3)	−0.006 (2)	0.006 (2)	−0.022 (2)
C38'	0.047 (3)	0.049 (3)	0.046 (3)	−0.0136 (19)	0.0057 (17)	−0.0216 (19)
C39'	0.042 (2)	0.043 (2)	0.042 (2)	−0.0126 (14)	0.0080 (13)	−0.0193 (14)
C40'	0.040 (2)	0.040 (2)	0.041 (2)	−0.0122 (14)	0.0075 (13)	−0.0181 (13)
C41'	0.0346 (18)	0.0341 (18)	0.0329 (16)	−0.0080 (12)	0.0054 (13)	−0.0179 (13)
C42'	0.0326 (16)	0.0310 (16)	0.0308 (14)	−0.0074 (12)	0.0039 (12)	−0.0173 (12)
C43'	0.070 (2)	0.069 (2)	0.0677 (19)	−0.0172 (17)	0.0075 (17)	−0.0320 (15)
C44'	0.0614 (19)	0.0674 (18)	0.0659 (18)	−0.0175 (14)	0.0043 (14)	−0.0302 (13)
C45'	0.0530 (16)	0.0644 (18)	0.0621 (17)	−0.0161 (13)	0.0006 (12)	−0.0334 (13)
C46'	0.0463 (15)	0.059 (2)	0.0603 (18)	−0.0167 (15)	0.0050 (14)	−0.0309 (13)
C77	0.034 (2)	0.034 (3)	0.037 (3)	−0.0148 (19)	0.0048 (14)	−0.0163 (16)
C77'	0.0400 (14)	0.0385 (16)	0.0435 (18)	−0.0181 (12)	0.0044 (13)	−0.0187 (13)
N1	0.0302 (11)	0.0271 (11)	0.0300 (10)	−0.0074 (9)	0.0044 (9)	−0.0171 (9)
N2	0.031 (2)	0.027 (2)	0.031 (2)	−0.0082 (16)	0.0048 (17)	−0.0195 (18)
N3	0.050 (3)	0.024 (2)	0.036 (2)	−0.005 (2)	0.001 (2)	−0.012 (2)
N4	0.053 (3)	0.030 (2)	0.034 (2)	−0.004 (2)	0.007 (2)	−0.016 (2)
O1	0.0391 (19)	0.0209 (16)	0.0262 (17)	0.0000 (14)	−0.0020 (14)	−0.0121 (14)
O2	0.0359 (18)	0.0197 (15)	0.0277 (16)	−0.0066 (13)	0.0080 (14)	−0.0142 (13)
O3	0.0775 (19)	0.0792 (19)	0.0687 (17)	−0.0213 (15)	0.0121 (14)	−0.0348 (15)
O4	0.0503 (16)	0.0467 (15)	0.0461 (14)	−0.0137 (12)	0.0096 (12)	−0.0213 (11)
O5	0.044 (2)	0.080 (3)	0.042 (2)	−0.022 (2)	0.0091 (17)	−0.034 (2)
O6	0.0387 (14)	0.0367 (13)	0.0400 (13)	−0.0112 (11)	0.0085 (11)	−0.0192 (10)
O7	0.0344 (17)	0.0141 (14)	0.0243 (16)	−0.0032 (13)	0.0049 (13)	−0.0104 (13)
O8	0.0448 (19)	0.0160 (15)	0.0262 (17)	−0.0045 (14)	0.0085 (14)	−0.0114 (13)
O9	0.0305 (17)	0.0220 (15)	0.0268 (16)	−0.0052 (13)	0.0033 (13)	−0.0132 (13)
O10	0.0367 (18)	0.0243 (16)	0.0244 (16)	−0.0065 (14)	0.0074 (13)	−0.0138 (14)
O11	0.045 (2)	0.0220 (16)	0.0295 (17)	−0.0068 (14)	0.0124 (15)	−0.0165 (14)
O12	0.047 (2)	0.0245 (17)	0.0302 (18)	0.0010 (15)	−0.0025 (16)	−0.0151 (15)
O4'	0.044 (2)	0.046 (2)	0.044 (2)	−0.0125 (15)	0.0064 (14)	−0.0198 (15)
O6'	0.0367 (19)	0.0366 (19)	0.0378 (19)	−0.0108 (13)	0.0055 (13)	−0.0179 (13)
Sn1	0.02389 (17)	0.01748 (15)	0.02543 (17)	−0.00564 (12)	0.00596 (12)	−0.01149 (13)
Sn2	0.02872 (17)	0.01787 (15)	0.02547 (17)	−0.00693 (12)	0.00890 (13)	−0.01309 (13)
Sn3	0.03076 (18)	0.01825 (15)	0.02358 (16)	−0.00683 (13)	0.01000 (13)	−0.01258 (13)
Sn4	0.03021 (18)	0.01869 (16)	0.02587 (17)	−0.00521 (13)	0.00842 (13)	−0.01079 (13)

Geometric parameters (Å, º)

C1—H1A	0.9300	C53—Sn4	2.125 (4)
C1—C2	1.378 (7)	C54—H54A	0.9700
C1—C6	1.391 (6)	C54—H54B	0.9700
C2—H2A	0.9300	C55—H55A	0.9600
C2—C3	1.387 (7)	C55—H55B	0.9600
C3—H3A	0.9300	C55—H55C	0.9600
C3—C4	1.390 (6)	C55—C56	1.504 (7)
C4—H4A	0.9300	C56—H56A	0.9700
C4—C5	1.382 (6)	C56—H56B	0.9700
C5—C6	1.414 (6)	C56—C57	1.510 (6)
C5—C7	1.453 (5)	C57—H57A	0.9700
C6—N2	1.372 (5)	C57—H57B	0.9700
C7—C8	1.395 (5)	C57—C58	1.508 (6)
C7—C12	1.401 (6)	C58—H58A	0.9700
C8—H8A	0.9300	C58—H58B	0.9700
C8—C10	1.398 (6)	C58—Sn3	2.137 (4)
C9—H9A	0.9300	C59—H59A	0.9600
C9—C10	1.426 (6)	C59—H59B	0.9600
C9—C11	1.364 (6)	C59—H59C	0.9600
C10—C15	1.445 (5)	C59—C60	1.582 (8)
C11—H11A	0.9300	C60—H60A	0.9700
C11—C12	1.405 (6)	C60—H60B	0.9700
C12—N2	1.382 (5)	C60—C61	1.533 (7)
C13—C14	1.426 (6)	C61—H61A	0.9700
C13—N4	1.150 (6)	C61—H61B	0.9700
C14—C15	1.349 (5)	C61—C62	1.509 (7)
C14—C16	1.500 (5)	C62—H62A	0.9700
C15—H15A	0.9300	C62—H62B	0.9700
C16—O1	1.232 (5)	C62—Sn3	2.115 (4)
C16—O2	1.298 (5)	C63—H63A	0.9600
C17—H17A	0.9700	C63—H63B	0.9600
C17—H17B	0.9700	C63—H63C	0.9600
C17—C18	1.538 (7)	C63—C64	1.541 (7)
C17—N2	1.454 (5)	C64—H64A	0.9700
C18—H18A	0.9700	C64—H64B	0.9700
C18—H18B	0.9700	C64—C65	1.518 (6)
C18—O5	1.398 (5)	C65—H65A	0.9700
C19—H19A	0.9700	C65—H65B	0.9700
C19—H19B	0.9700	C65—C66	1.531 (6)
C19—C20	1.511 (8)	C66—H66A	0.9700
C19—O5	1.442 (6)	C66—H66B	0.9700
C20—H20A	0.9700	C66—Sn1	2.131 (4)
C20—H20B	0.9700	C67—H67A	0.9600
C20—O3	1.416 (7)	C67—H67B	0.9600
C21—H21A	0.9600	C67—H67C	0.9600
C21—H21B	0.9600	C67—C68	1.48 (4)
C21—H21C	0.9600	C67'—H67D	0.9600
C21—O3	1.456 (7)	C67'—H67E	0.9600
C22—C23	1.396 (6)	C67'—H67F	0.9600
C22—C27	1.413 (6)	C67'—C68'	1.500 (10)
C22—N1	1.377 (5)	C68—H68A	0.9700
C23—H23A	0.9300	C68—H68B	0.9700
C23—C24	1.371 (6)	C68—C69	1.40 (4)
C24—H24A	0.9300	C68'—H68C	0.9700
C24—C25	1.406 (7)	C68'—H68D	0.9700
C25—H25A	0.9300	C68'—C69'	1.532 (10)
C25—C26	1.387 (6)	C69—H69A	0.9700
C26—H26A	0.9300	C69—H69B	0.9700
C26—C27	1.388 (6)	C69—C70	1.57 (5)
C27—C28	1.446 (5)	C69'—H69C	0.9700
C28—C29	1.390 (5)	C69'—H69D	0.9700
C28—C33	1.410 (6)	C69'—C70'	1.539 (12)
C29—H29A	0.9300	C70—H70A	0.9700
C29—C30	1.402 (6)	C70—H70B	0.9700
C30—C31	1.425 (6)	C70—Sn1	2.104 (10)
C30—C34	1.449 (5)	C70'—H70C	0.9700
C31—H31A	0.9300	C70'—H70D	0.9700
C31—C32	1.369 (6)	C70'—Sn1	2.129 (5)
C32—H32A	0.9300	C71—H71A	0.9600
C32—C33	1.394 (6)	C71—H71B	0.9600
C33—N1	1.376 (5)	C71—H71C	0.9600
C34—H34A	0.9300	C71—C72	1.504 (6)
C34—C35	1.348 (6)	C72—H72A	0.9700
C35—C36	1.436 (6)	C72—H72B	0.9700
C35—C37	1.512 (6)	C72—C73	1.521 (6)
C36—N3	1.140 (6)	C73—H73A	0.9700
C37—O11	1.296 (5)	C73—H73B	0.9700
C37—O12	1.221 (5)	C73—C74	1.516 (6)
C38—H38A	0.9600	C74—H74A	0.9700
C38—H38B	0.9600	C74—H74B	0.9700
C38—H38C	0.9600	C74—Sn2	2.126 (4)
C38—O4	1.399 (7)	C75—H75A	0.9600
C39—H39A	0.9700	C75—H75B	0.9600
C39—H39B	0.9700	C75—H75C	0.9600
C39—C40	1.531 (9)	C75—O10	1.425 (5)
C39—O4	1.412 (8)	C76—H76A	0.9600
C40—H40A	0.9700	C76—H76B	0.9600
C40—H40B	0.9700	C76—H76C	0.9600
C40—O6	1.446 (7)	C76—O9	1.418 (5)
C41—H41A	0.9700	C38'—H38D	0.9600
C41—H41B	0.9700	C38'—H38E	0.9600
C41—C42	1.555 (16)	C38'—H38F	0.9600
C41—O6	1.385 (8)	C38'—O4'	1.440 (15)
C42—H42A	0.9700	C39'—H39C	0.9700
C42—H42B	0.9700	C39'—H39D	0.9700
C42—N1	1.455 (18)	C39'—C40'	1.532 (17)
C43—H43A	0.9600	C39'—O4'	1.560 (16)
C43—H43B	0.9600	C40'—H40C	0.9700
C43—H43C	0.9600	C40'—H40D	0.9700
C43—C44	1.487 (10)	C40'—O6'	1.475 (18)
C44—H44A	0.9700	C41'—H41C	0.9700
C44—H44B	0.9700	C41'—H41D	0.9700
C44—C45	1.509 (10)	C41'—C42'	1.20 (7)
C45—H45A	0.9700	C41'—O6'	1.488 (19)
C45—H45B	0.9700	C42'—H42C	0.9700
C45—C46	1.513 (10)	C42'—H42D	0.9700
C46—H46A	0.9700	C42'—N1	1.49 (7)
C46—H46B	0.9700	C43'—H43D	0.9600
C46—Sn4	2.113 (10)	C43'—H43E	0.9600
C47—H47A	0.9600	C43'—H43F	0.9600
C47—H47B	0.9600	C43'—C44'	1.483 (8)
C47—H47C	0.9600	C44'—H44C	0.9700
C47—C48	1.507 (10)	C44'—H44D	0.9700
C47'—H47D	0.9600	C44'—C45'	1.579 (8)
C47'—H47E	0.9600	C45'—H45C	0.9700
C47'—H47F	0.9600	C45'—H45D	0.9700
C47'—C48'	1.533 (7)	C45'—C46'	1.536 (9)
C48—H48A	0.9700	C46'—H46C	0.9700
C48—H48B	0.9700	C46'—H46D	0.9700
C48—C49	1.500 (10)	C46'—Sn4	2.141 (6)
C48'—H48C	0.9700	C77—H77A	0.9700
C48'—H48D	0.9700	C77—H77B	0.9700
C48'—C49'	1.526 (6)	C77—Sn2	2.097 (10)
C49—H49A	0.9700	C77'—H77C	0.9700
C49—H49B	0.9700	C77'—H77D	0.9700
C49—C77	1.500 (10)	C77'—Sn2	2.125 (5)
C49'—H49C	0.9700	O2—Sn1	2.164 (3)
C49'—H49D	0.9700	O7—Sn1	2.011 (3)
C49'—C77'	1.513 (7)	O7—Sn2	2.049 (3)
C51—H51A	0.9600	O7—Sn3	2.140 (3)
C51—H51B	0.9600	O8—Sn2	2.123 (3)
C51—H51C	0.9600	O8—Sn3	2.044 (3)
C51—C52	1.532 (7)	O8—Sn4	2.018 (3)
C52—H52A	0.9700	O9—Sn1	2.224 (3)
C52—H52B	0.9700	O9—Sn2	2.174 (3)
C52—C54	1.513 (6)	O10—Sn3	2.166 (3)
C53—H53A	0.9700	O10—Sn4	2.222 (3)
C53—H53B	0.9700	O11—Sn4	2.151 (3)
C53—C54	1.525 (6)
C2—C1—H1A	121.3	C61—C60—C59	110.8 (5)
C2—C1—C6	117.5 (4)	C61—C60—H60A	109.5
C6—C1—H1A	121.3	C61—C60—H60B	109.5
C1—C2—H2A	119.1	C60—C61—H61A	108.9
C1—C2—C3	121.9 (4)	C60—C61—H61B	108.9
C3—C2—H2A	119.1	H61A—C61—H61B	107.7
C2—C3—H3A	119.5	C62—C61—C60	113.5 (4)
C2—C3—C4	121.0 (4)	C62—C61—H61A	108.9
C4—C3—H3A	119.5	C62—C61—H61B	108.9
C3—C4—H4A	120.9	C61—C62—H62A	107.9
C5—C4—C3	118.2 (4)	C61—C62—H62B	107.9
C5—C4—H4A	120.9	C61—C62—Sn3	117.7 (3)
C4—C5—C6	120.3 (4)	H62A—C62—H62B	107.2
C4—C5—C7	133.8 (4)	Sn3—C62—H62A	107.9
C6—C5—C7	105.8 (4)	Sn3—C62—H62B	107.9
C1—C6—C5	121.1 (4)	H63A—C63—H63B	109.5
N2—C6—C1	129.3 (4)	H63A—C63—H63C	109.5
N2—C6—C5	109.6 (3)	H63B—C63—H63C	109.5
C8—C7—C5	134.6 (4)	C64—C63—H63A	109.5
C8—C7—C12	118.9 (4)	C64—C63—H63B	109.5
C12—C7—C5	106.5 (3)	C64—C63—H63C	109.5
C7—C8—H8A	119.8	C63—C64—H64A	109.4
C7—C8—C10	120.4 (4)	C63—C64—H64B	109.4
C10—C8—H8A	119.8	H64A—C64—H64B	108.0
C10—C9—H9A	118.9	C65—C64—C63	111.0 (4)
C11—C9—H9A	118.9	C65—C64—H64A	109.4
C11—C9—C10	122.1 (4)	C65—C64—H64B	109.4
C8—C10—C9	118.6 (4)	C64—C65—H65A	109.0
C8—C10—C15	117.8 (4)	C64—C65—H65B	109.0
C9—C10—C15	123.6 (4)	C64—C65—C66	113.1 (4)
C9—C11—H11A	121.1	H65A—C65—H65B	107.8
C9—C11—C12	117.8 (4)	C66—C65—H65A	109.0
C12—C11—H11A	121.1	C66—C65—H65B	109.0
C7—C12—C11	122.1 (4)	C65—C66—H66A	108.6
N2—C12—C7	109.5 (4)	C65—C66—H66B	108.6
N2—C12—C11	128.4 (4)	C65—C66—Sn1	114.5 (3)
N4—C13—C14	177.6 (5)	H66A—C66—H66B	107.6
C13—C14—C16	115.2 (3)	Sn1—C66—H66A	108.6
C15—C14—C13	125.6 (4)	Sn1—C66—H66B	108.6
C15—C14—C16	119.2 (4)	H67A—C67—H67B	109.5
C10—C15—H15A	113.9	H67A—C67—H67C	109.5
C14—C15—C10	132.1 (4)	H67B—C67—H67C	109.5
C14—C15—H15A	113.9	C68—C67—H67A	109.5
O1—C16—C14	121.0 (4)	C68—C67—H67B	109.5
O1—C16—O2	124.2 (4)	C68—C67—H67C	109.5
O2—C16—C14	114.8 (4)	H67D—C67'—H67E	109.5
H17A—C17—H17B	108.0	H67D—C67'—H67F	109.5
C18—C17—H17A	109.3	H67E—C67'—H67F	109.5
C18—C17—H17B	109.3	C68'—C67'—H67D	109.5
N2—C17—H17A	109.3	C68'—C67'—H67E	109.5
N2—C17—H17B	109.3	C68'—C67'—H67F	109.5
N2—C17—C18	111.5 (4)	C67—C68—H68A	108.6
C17—C18—H18A	110.3	C67—C68—H68B	108.6
C17—C18—H18B	110.3	H68A—C68—H68B	107.5
H18A—C18—H18B	108.5	C69—C68—C67	115 (3)
O5—C18—C17	107.3 (4)	C69—C68—H68A	108.6
O5—C18—H18A	110.3	C69—C68—H68B	108.6
O5—C18—H18B	110.3	C67'—C68'—H68C	109.2
H19A—C19—H19B	108.5	C67'—C68'—H68D	109.2
C20—C19—H19A	110.2	C67'—C68'—C69'	112.1 (7)
C20—C19—H19B	110.2	H68C—C68'—H68D	107.9
O5—C19—H19A	110.2	C69'—C68'—H68C	109.2
O5—C19—H19B	110.2	C69'—C68'—H68D	109.2
O5—C19—C20	107.4 (4)	C68—C69—H69A	108.0
C19—C20—H20A	110.4	C68—C69—H69B	108.0
C19—C20—H20B	110.4	C68—C69—C70	117 (3)
H20A—C20—H20B	108.6	H69A—C69—H69B	107.3
O3—C20—C19	106.8 (5)	C70—C69—H69A	108.0
O3—C20—H20A	110.4	C70—C69—H69B	108.0
O3—C20—H20B	110.4	C68'—C69'—H69C	108.5
H21A—C21—H21B	109.5	C68'—C69'—H69D	108.5
H21A—C21—H21C	109.5	C68'—C69'—C70'	115.1 (8)
H21B—C21—H21C	109.5	H69C—C69'—H69D	107.5
O3—C21—H21A	109.5	C70'—C69'—H69C	108.5
O3—C21—H21B	109.5	C70'—C69'—H69D	108.5
O3—C21—H21C	109.5	C69—C70—H70A	109.6
C23—C22—C27	121.4 (4)	C69—C70—H70B	109.6
N1—C22—C23	129.4 (4)	C69—C70—Sn1	110 (2)
N1—C22—C27	109.1 (3)	H70A—C70—H70B	108.1
C22—C23—H23A	121.1	Sn1—C70—H70A	109.6
C24—C23—C22	117.7 (4)	Sn1—C70—H70B	109.6
C24—C23—H23A	121.1	C69'—C70'—H70C	108.4
C23—C24—H24A	119.2	C69'—C70'—H70D	108.4
C23—C24—C25	121.7 (4)	C69'—C70'—Sn1	115.6 (6)
C25—C24—H24A	119.2	H70C—C70'—H70D	107.4
C24—C25—H25A	119.8	Sn1—C70'—H70C	108.4
C26—C25—C24	120.4 (4)	Sn1—C70'—H70D	108.4
C26—C25—H25A	119.8	H71A—C71—H71B	109.5
C25—C26—H26A	120.5	H71A—C71—H71C	109.5
C25—C26—C27	118.9 (4)	H71B—C71—H71C	109.5
C27—C26—H26A	120.5	C72—C71—H71A	109.5
C22—C27—C28	106.0 (4)	C72—C71—H71B	109.5
C26—C27—C22	119.7 (4)	C72—C71—H71C	109.5
C26—C27—C28	134.3 (4)	C71—C72—H72A	109.0
C29—C28—C27	133.7 (4)	C71—C72—H72B	109.0
C29—C28—C33	119.4 (4)	C71—C72—C73	112.8 (4)
C33—C28—C27	106.9 (3)	H72A—C72—H72B	107.8
C28—C29—H29A	120.1	C73—C72—H72A	109.0
C28—C29—C30	119.9 (4)	C73—C72—H72B	109.0
C30—C29—H29A	120.1	C72—C73—H73A	108.8
C29—C30—C31	118.9 (4)	C72—C73—H73B	108.8
C29—C30—C34	117.1 (4)	H73A—C73—H73B	107.7
C31—C30—C34	124.0 (4)	C74—C73—C72	113.9 (3)
C30—C31—H31A	119.1	C74—C73—H73A	108.8
C32—C31—C30	121.8 (4)	C74—C73—H73B	108.8
C32—C31—H31A	119.1	C73—C74—H74A	108.6
C31—C32—H32A	120.8	C73—C74—H74B	108.6
C31—C32—C33	118.4 (4)	C73—C74—Sn2	114.5 (3)
C33—C32—H32A	120.8	H74A—C74—H74B	107.6
C32—C33—C28	121.7 (4)	Sn2—C74—H74A	108.6
N1—C33—C28	108.8 (3)	Sn2—C74—H74B	108.6
N1—C33—C32	129.6 (4)	H75A—C75—H75B	109.5
C30—C34—H34A	113.7	H75A—C75—H75C	109.5
C35—C34—C30	132.7 (4)	H75B—C75—H75C	109.5
C35—C34—H34A	113.7	O10—C75—H75A	109.5
C34—C35—C36	125.1 (4)	O10—C75—H75B	109.5
C34—C35—C37	118.5 (4)	O10—C75—H75C	109.5
C36—C35—C37	116.4 (4)	H76A—C76—H76B	109.5
N3—C36—C35	177.4 (5)	H76A—C76—H76C	109.5
O11—C37—C35	113.9 (4)	H76B—C76—H76C	109.5
O12—C37—C35	121.4 (4)	O9—C76—H76A	109.5
O12—C37—O11	124.7 (4)	O9—C76—H76B	109.5
H38A—C38—H38B	109.5	O9—C76—H76C	109.5
H38A—C38—H38C	109.5	H38D—C38'—H38E	109.5
H38B—C38—H38C	109.5	H38D—C38'—H38F	109.5
O4—C38—H38A	109.5	H38E—C38'—H38F	109.5
O4—C38—H38B	109.5	O4'—C38'—H38D	109.5
O4—C38—H38C	109.5	O4'—C38'—H38E	109.5
H39A—C39—H39B	108.6	O4'—C38'—H38F	109.5
C40—C39—H39A	110.3	H39C—C39'—H39D	108.2
C40—C39—H39B	110.3	C40'—C39'—H39C	109.8
O4—C39—H39A	110.3	C40'—C39'—H39D	109.8
O4—C39—H39B	110.3	C40'—C39'—O4'	109.5 (13)
O4—C39—C40	106.9 (5)	O4'—C39'—H39C	109.8
C39—C40—H40A	110.0	O4'—C39'—H39D	109.8
C39—C40—H40B	110.0	C39'—C40'—H40C	109.2
H40A—C40—H40B	108.4	C39'—C40'—H40D	109.2
O6—C40—C39	108.4 (6)	H40C—C40'—H40D	107.9
O6—C40—H40A	110.0	O6'—C40'—C39'	112 (2)
O6—C40—H40B	110.0	O6'—C40'—H40C	109.2
H41A—C41—H41B	108.5	O6'—C40'—H40D	109.2
C42—C41—H41A	110.4	H41C—C41'—H41D	108.2
C42—C41—H41B	110.3	C42'—C41'—H41C	109.8
O6—C41—H41A	110.3	C42'—C41'—H41D	109.3
O6—C41—H41B	110.3	C42'—C41'—O6'	110 (4)
O6—C41—C42	107.1 (8)	O6'—C41'—H41C	109.7
C41—C42—H42A	108.9	O6'—C41'—H41D	109.7
C41—C42—H42B	109.0	C41'—C42'—H42C	107.4
H42A—C42—H42B	107.8	C41'—C42'—H42D	107.7
N1—C42—C41	113.0 (11)	C41'—C42'—N1	120 (6)
N1—C42—H42A	109.0	H42C—C42'—H42D	106.9
N1—C42—H42B	109.0	N1—C42'—H42C	107.2
H43A—C43—H43B	109.5	N1—C42'—H42D	107.5
H43A—C43—H43C	109.5	H43D—C43'—H43E	109.5
H43B—C43—H43C	109.5	H43D—C43'—H43F	109.5
C44—C43—H43A	109.5	H43E—C43'—H43F	109.5
C44—C43—H43B	109.5	C44'—C43'—H43D	109.5
C44—C43—H43C	109.5	C44'—C43'—H43E	109.5
C43—C44—H44A	113.2	C44'—C43'—H43F	109.5
C43—C44—H44B	113.1	C43'—C44'—H44C	107.8
C43—C44—C45	92.7 (14)	C43'—C44'—H44D	107.8
H44A—C44—H44B	110.5	C43'—C44'—C45'	118.2 (7)
C45—C44—H44A	113.2	H44C—C44'—H44D	107.1
C45—C44—H44B	113.2	C45'—C44'—H44C	107.8
C44—C45—H45A	108.3	C45'—C44'—H44D	107.8
C44—C45—H45B	108.3	C44'—C45'—H45C	109.5
C44—C45—C46	116 (2)	C44'—C45'—H45D	109.5
H45A—C45—H45B	107.4	H45C—C45'—H45D	108.1
C46—C45—H45A	108.3	C46'—C45'—C44'	110.8 (8)
C46—C45—H45B	108.4	C46'—C45'—H45C	109.5
C45—C46—H46A	109.2	C46'—C45'—H45D	109.5
C45—C46—H46B	109.2	C45'—C46'—H46C	108.6
C45—C46—Sn4	112.0 (12)	C45'—C46'—H46D	108.6
H46A—C46—H46B	107.9	C45'—C46'—Sn4	114.7 (6)
Sn4—C46—H46A	109.2	H46C—C46'—H46D	107.6
Sn4—C46—H46B	109.2	Sn4—C46'—H46C	108.6
H47A—C47—H47B	109.5	Sn4—C46'—H46D	108.6
H47A—C47—H47C	109.5	C49—C77—H77A	109.4
H47B—C47—H47C	109.5	C49—C77—H77B	109.4
C48—C47—H47A	109.5	C49—C77—Sn2	111.1 (18)
C48—C47—H47B	109.5	H77A—C77—H77B	108.0
C48—C47—H47C	109.5	Sn2—C77—H77A	109.4
H47D—C47'—H47E	109.5	Sn2—C77—H77B	109.4
H47D—C47'—H47F	109.5	C49'—C77'—H77C	109.2
H47E—C47'—H47F	109.5	C49'—C77'—H77D	109.2
C48'—C47'—H47D	109.5	C49'—C77'—Sn2	112.2 (4)
C48'—C47'—H47E	109.5	H77C—C77'—H77D	107.9
C48'—C47'—H47F	109.5	Sn2—C77'—H77C	109.2
C47—C48—H48A	108.5	Sn2—C77'—H77D	109.2
C47—C48—H48B	108.5	C22—N1—C42	123.7 (7)
H48A—C48—H48B	107.5	C22—N1—C42'	127 (3)
C49—C48—C47	115.2 (10)	C33—N1—C22	109.3 (3)
C49—C48—H48A	108.5	C33—N1—C42	126.7 (8)
C49—C48—H48B	108.5	C33—N1—C42'	124 (3)
C47'—C48'—H48C	109.3	C6—N2—C12	108.6 (3)
C47'—C48'—H48D	109.3	C6—N2—C17	126.0 (3)
H48C—C48'—H48D	108.0	C12—N2—C17	125.3 (4)
C49'—C48'—C47'	111.5 (5)	C16—O2—Sn1	115.9 (3)
C49'—C48'—H48C	109.3	C20—O3—C21	111.6 (5)
C49'—C48'—H48D	109.3	C38—O4—C39	111.0 (5)
C48—C49—H49A	108.5	C18—O5—C19	113.8 (4)
C48—C49—H49B	108.5	C41—O6—C40	108.4 (6)
C48—C49—C77	115.2 (10)	Sn1—O7—Sn2	113.96 (13)
H49A—C49—H49B	107.5	Sn1—O7—Sn3	139.60 (13)
C77—C49—H49A	108.5	Sn2—O7—Sn3	106.42 (12)
C77—C49—H49B	108.5	Sn3—O8—Sn2	107.24 (12)
C48'—C49'—H49C	108.5	Sn4—O8—Sn2	139.23 (14)
C48'—C49'—H49D	108.5	Sn4—O8—Sn3	113.51 (13)
H49C—C49'—H49D	107.5	C76—O9—Sn1	133.2 (3)
C77'—C49'—C48'	115.1 (5)	C76—O9—Sn2	123.5 (3)
C77'—C49'—H49C	108.5	Sn2—O9—Sn1	101.44 (11)
C77'—C49'—H49D	108.5	C75—O10—Sn3	126.4 (3)
H51A—C51—H51B	109.5	C75—O10—Sn4	130.9 (3)
H51A—C51—H51C	109.5	Sn3—O10—Sn4	101.46 (11)
H51B—C51—H51C	109.5	C37—O11—Sn4	114.2 (3)
C52—C51—H51A	109.5	C38'—O4'—C39'	110.9 (11)
C52—C51—H51B	109.5	C40'—O6'—C41'	134 (2)
C52—C51—H51C	109.5	C66—Sn1—O2	97.82 (13)
C51—C52—H52A	109.1	C66—Sn1—O9	96.12 (13)
C51—C52—H52B	109.1	C70—Sn1—C66	133.7 (10)
H52A—C52—H52B	107.9	C70—Sn1—O2	92.9 (12)
C54—C52—C51	112.3 (4)	C70—Sn1—O9	95.0 (12)
C54—C52—H52A	109.1	C70'—Sn1—C66	127.4 (3)
C54—C52—H52B	109.1	C70'—Sn1—O2	96.3 (3)
H53A—C53—H53B	107.5	C70'—Sn1—O9	94.5 (3)
C54—C53—H53A	108.5	O2—Sn1—O9	151.78 (11)
C54—C53—H53B	108.5	O7—Sn1—C66	114.22 (14)
C54—C53—Sn4	115.0 (3)	O7—Sn1—C70	112.0 (10)
Sn4—C53—H53A	108.5	O7—Sn1—C70'	118.1 (3)
Sn4—C53—H53B	108.5	O7—Sn1—O2	79.80 (10)
C52—C54—C53	112.5 (4)	O7—Sn1—O9	72.11 (10)
C52—C54—H54A	109.1	C74—Sn2—O9	95.66 (14)
C52—C54—H54B	109.1	C77—Sn2—C74	128.6 (10)
C53—C54—H54A	109.1	C77—Sn2—O8	89.2 (8)
C53—C54—H54B	109.1	C77—Sn2—O9	105.1 (6)
H54A—C54—H54B	107.8	C77'—Sn2—C74	129.6 (2)
H55A—C55—H55B	109.5	C77'—Sn2—O9	94.12 (18)
H55A—C55—H55C	109.5	O7—Sn2—C74	115.74 (14)
H55B—C55—H55C	109.5	O7—Sn2—C77	115.2 (11)
C56—C55—H55A	109.5	O7—Sn2—C77'	114.33 (19)
C56—C55—H55B	109.5	O7—Sn2—O8	73.29 (11)
C56—C55—H55C	109.5	O7—Sn2—O9	72.47 (10)
C55—C56—H56A	108.6	O8—Sn2—C74	99.17 (14)
C55—C56—H56B	108.6	O8—Sn2—C77'	99.71 (19)
C55—C56—C57	114.6 (4)	O8—Sn2—O9	145.77 (10)
H56A—C56—H56B	107.6	C58—Sn3—O7	98.38 (16)
C57—C56—H56A	108.6	C58—Sn3—O10	96.46 (15)
C57—C56—H56B	108.6	C62—Sn3—C58	130.48 (18)
C56—C57—H57A	108.7	C62—Sn3—O7	96.23 (14)
C56—C57—H57B	108.7	C62—Sn3—O10	97.13 (15)
H57A—C57—H57B	107.6	O7—Sn3—O10	145.92 (10)
C58—C57—C56	114.2 (4)	O8—Sn3—C58	115.02 (15)
C58—C57—H57A	108.7	O8—Sn3—C62	114.50 (16)
C58—C57—H57B	108.7	O8—Sn3—O7	73.05 (11)
C57—C58—H58A	108.3	O8—Sn3—O10	72.88 (11)
C57—C58—H58B	108.3	C46—Sn4—C53	128.5 (6)
C57—C58—Sn3	116.0 (3)	C46—Sn4—O10	93.6 (13)
H58A—C58—H58B	107.4	C46—Sn4—O11	97.2 (12)
Sn3—C58—H58A	108.3	C53—Sn4—C46'	128.1 (3)
Sn3—C58—H58B	108.3	C53—Sn4—O10	94.98 (14)
H59A—C59—H59B	109.5	C53—Sn4—O11	98.75 (14)
H59A—C59—H59C	109.5	C46'—Sn4—O10	91.0 (5)
H59B—C59—H59C	109.5	C46'—Sn4—O11	99.9 (5)
C60—C59—H59A	109.5	O8—Sn4—C46	116.7 (6)
C60—C59—H59B	109.5	O8—Sn4—C53	114.19 (15)
C60—C59—H59C	109.5	O8—Sn4—C46'	116.7 (3)
C59—C60—H60A	109.5	O8—Sn4—O10	72.16 (11)
C59—C60—H60B	109.5	O8—Sn4—O11	79.30 (11)
H60A—C60—H60B	108.1	O11—Sn4—O10	151.37 (11)
C1—C2—C3—C4	1.0 (7)	C28—C29—C30—C31	1.0 (6)
C1—C6—N2—C12	179.4 (4)	C28—C29—C30—C34	179.7 (4)
C1—C6—N2—C17	−4.3 (7)	C28—C33—N1—C22	0.5 (5)
C2—C1—C6—C5	−0.8 (6)	C28—C33—N1—C42	−173.1 (7)
C2—C1—C6—N2	−179.8 (4)	C28—C33—N1—C42'	−179 (3)
C2—C3—C4—C5	−0.7 (7)	C29—C28—C33—C32	−0.5 (6)
C3—C4—C5—C6	−0.4 (6)	C29—C28—C33—N1	179.8 (4)
C3—C4—C5—C7	−179.6 (5)	C29—C30—C31—C32	−0.9 (6)
C4—C5—C6—C1	1.1 (6)	C29—C30—C34—C35	176.0 (4)
C4—C5—C6—N2	−179.7 (4)	C30—C31—C32—C33	0.0 (7)
C4—C5—C7—C8	−0.5 (8)	C30—C34—C35—C36	−0.4 (8)
C4—C5—C7—C12	179.4 (5)	C30—C34—C35—C37	178.8 (4)
C5—C6—N2—C12	0.3 (5)	C31—C30—C34—C35	−5.3 (8)
C5—C6—N2—C17	176.6 (4)	C31—C32—C33—C28	0.7 (6)
C5—C7—C8—C10	179.9 (4)	C31—C32—C33—N1	−179.7 (4)
C5—C7—C12—C11	−179.8 (4)	C32—C33—N1—C22	−179.2 (4)
C5—C7—C12—N2	0.1 (5)	C32—C33—N1—C42	7.3 (9)
C6—C1—C2—C3	−0.3 (7)	C32—C33—N1—C42'	1 (3)
C6—C5—C7—C8	−179.8 (4)	C33—C28—C29—C30	−0.3 (6)
C6—C5—C7—C12	0.1 (4)	C34—C30—C31—C32	−179.5 (4)
C7—C5—C6—C1	−179.5 (4)	C34—C35—C37—O11	−175.2 (4)
C7—C5—C6—N2	−0.3 (5)	C34—C35—C37—O12	5.6 (6)
C7—C8—C10—C9	0.0 (6)	C35—C37—O11—Sn4	178.2 (3)
C7—C8—C10—C15	179.9 (4)	C36—C35—C37—O11	4.1 (6)
C7—C12—N2—C6	−0.2 (5)	C36—C35—C37—O12	−175.0 (4)
C7—C12—N2—C17	−176.5 (4)	C39—C40—O6—C41	−96.2 (8)
C8—C7—C12—C11	0.1 (6)	C40—C39—O4—C38	169.3 (6)
C8—C7—C12—N2	180.0 (4)	C41—C42—N1—C22	88.4 (10)
C8—C10—C15—C14	−175.6 (4)	C41—C42—N1—C33	−98.9 (12)
C9—C10—C15—C14	4.3 (7)	C41—C42—N1—C42'	−35 (36)
C9—C11—C12—C7	−0.2 (6)	C42—C41—O6—C40	−178.6 (9)
C9—C11—C12—N2	179.9 (4)	C43—C44—C45—C46	139 (2)
C10—C9—C11—C12	0.2 (6)	C44—C45—C46—Sn4	60 (3)
C11—C9—C10—C8	−0.2 (6)	C47—C48—C49—C77	23 (4)
C11—C9—C10—C15	180.0 (4)	C47'—C48'—C49'—C77'	−176.6 (5)
C11—C12—N2—C6	179.7 (4)	C48—C49—C77—Sn2	82 (3)
C11—C12—N2—C17	3.3 (7)	C48'—C49'—C77'—Sn2	177.4 (4)
C12—C7—C8—C10	0.0 (6)	C51—C52—C54—C53	−178.2 (4)
C13—C14—C15—C10	0.4 (7)	C55—C56—C57—C58	−178.4 (5)
C13—C14—C16—O1	171.3 (4)	C56—C57—C58—Sn3	175.0 (3)
C13—C14—C16—O2	−7.6 (5)	C59—C60—C61—C62	−67.9 (6)
C14—C16—O2—Sn1	−179.1 (3)	C60—C61—C62—Sn3	173.4 (4)
C15—C14—C16—O1	−8.9 (6)	C63—C64—C65—C66	175.4 (4)
C15—C14—C16—O2	172.2 (4)	C64—C65—C66—Sn1	−179.5 (3)
C16—C14—C15—C10	−179.3 (4)	C67—C68—C69—C70	66 (4)
C17—C18—O5—C19	−178.1 (4)	C67'—C68'—C69'—C70'	61.6 (10)
C18—C17—N2—C6	−87.9 (5)	C68—C69—C70—Sn1	56 (4)
C18—C17—N2—C12	87.8 (5)	C68'—C69'—C70'—Sn1	51.4 (10)
C19—C20—O3—C21	173.6 (5)	C71—C72—C73—C74	−179.6 (4)
C20—C19—O5—C18	−176.9 (5)	C72—C73—C74—Sn2	179.1 (3)
C22—C23—C24—C25	−1.0 (6)	C39'—C40'—O6'—C41'	−12 (4)
C22—C27—C28—C29	−179.9 (4)	C40'—C39'—O4'—C38'	174 (2)
C22—C27—C28—C33	0.8 (4)	C41'—C42'—N1—C22	75 (5)
C23—C22—C27—C26	−0.7 (6)	C41'—C42'—N1—C33	−105 (6)
C23—C22—C27—C28	−179.7 (4)	C41'—C42'—N1—C42	135 (41)
C23—C22—N1—C33	179.2 (4)	C42'—C41'—O6'—C40'	152 (5)
C23—C22—N1—C42	−7.1 (9)	C43'—C44'—C45'—C46'	166.9 (8)
C23—C22—N1—C42'	−1 (3)	C44'—C45'—C46'—Sn4	−69.5 (12)
C23—C24—C25—C26	0.1 (7)	N1—C22—C23—C24	−177.7 (4)
C24—C25—C26—C27	0.6 (7)	N1—C22—C27—C26	178.4 (4)
C25—C26—C27—C22	−0.2 (6)	N1—C22—C27—C28	−0.6 (5)
C25—C26—C27—C28	178.4 (5)	N2—C17—C18—O5	−173.5 (4)
C26—C27—C28—C29	1.3 (8)	O1—C16—O2—Sn1	2.0 (5)
C26—C27—C28—C33	−178.0 (5)	O4—C39—C40—O6	78.8 (7)
C27—C22—C23—C24	1.3 (6)	O5—C19—C20—O3	77.7 (6)
C27—C22—N1—C33	0.1 (5)	O6—C41—C42—N1	70.6 (13)
C27—C22—N1—C42	173.8 (7)	O12—C37—O11—Sn4	−2.7 (6)
C27—C22—N1—C42'	180 (3)	O4'—C39'—C40'—O6'	−98 (2)
C27—C28—C29—C30	−179.6 (4)	O6'—C41'—C42'—N1	63 (6)
C27—C28—C33—C32	178.9 (4)	Sn4—C53—C54—C52	−179.9 (3)
C27—C28—C33—N1	−0.8 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C15—H15A···O1	0.93	2.41	2.802 (5)	105
C17—H17A···O5^i	0.97	2.57	3.258 (6)	128
C18—H18B···O12^ii	0.97	2.58	3.544 (6)	171
C34—H34A···O12	0.93	2.39	2.798 (5)	106
C41—H41A···O4	0.97	2.40	3.054 (10)	124
C41—H41B···O1^iii	0.97	2.49	3.423 (11)	162

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