Tetra­kis(μ-triisopropyl­silanethiol­ato)-1:2κ⁴S:S;2:3κ⁴S:S-bis­(triisopropyl­silanethiol­ato)-1κS,3κS-trizinc(II)

The title compound, [Zn₃(C₉H₂₁SiS)₆] or [(ⁱPr₃SiS)Zn(μ-SSiⁱPr₃)₂Zn(μ-SSiⁱPr₃)₂Zn(SSiⁱPr₃)], is the first structurally characterized homoleptic silanethiol­ate complex of zinc. A near-linear arrangement of three Zn^II ions is observed, the metals at the ends being three-coordinate with one terminally bound silanethiol­ate ligand. The central Zn^II ion is four-coordinate and tetra­hedral, with two bridging silanethiol­ate ligands joining it to each of the two peripheral Zn^II ions. The nonbonding inter­metallic distances are 3.1344 (11) and 3.2288 (12) Å, while the Zn...Zn...Zn angle is 172.34 (2)°. A trimetallic silanethiol­ate species of this type has not been previously identified by X-ray crystallography for any element.

S1. Comment

The study of metal chalcogenolate complexes is of current interest due to their current application as precursors for metal sulfide/selenide materials (nanoparticles, thin films and bulk materials). It is well known that the chemistry of group 12 metal chalcogenolates is complicated due to the formation of oligomeric networks supported by bridging chalcogenolate ligands with tetrahedral metal ion coordination (Bonaisa & Arnold, 1992). A wide variety of synthetic methods have been developed to synthesize these compounds; the use of bulky aryl substituents is a common practice in order to reduce molecularity and enhance solubility. It is also common to modify the degree of aggregation in these compounds by blocking some coordination sites either with donor atoms from the thiolate ligand or with coligands (e.g. 1,10-phenanthroline).

The chemistry of metal thiocarboxylates has been widely studied (Nyman et al., 1997; Vittal & Ng, 2006). Neutral complexes of general formula Zn(SOCR)₂Lut₂ (Lut = 3,5-dimethylpyridine) were found to be monomeric, with distorted tetrahedral metal centers and monodentate S-bound thiocarboxylate ligands. The anionic complexes [M(SC{O}Ph)₃]^- [M= metal?] present a trigonal planar MS₃ geometry, supported by one or more intramolecular M···O interactions. Pentacoordinated zinc complexes with a trigonal–bipyramidal geometry have been reported (Zhang et al., 1991; Perez-Lourido et al., 1999). These neutral thiolate complexes are composed of a metal center bonded to unsaturated S ligands [Ph(SCH₃)C═C-(SH)Ph] (Zhang et al., 1991), as well as to arenephosphinothiol ligands [RP(SH)_x, x = 1,2] (Perez-Lourido et al., 1999). The former are examples of labile compounds that quickly undergo ligand exchange forming adducts with N-containing ligands (dmapy, py and bipy [pls define]) that adopt tetra-, penta- and hexa-coordinated structures.

There are not many examples of silylated metal (Zn) chalcogenolate complexes. The compounds (N,N'-tmeda)Zn(SSiMe₃)₂ and (3,5-Me₂C₅H₃N)₂Zn(SSiMe₃)₂ exist in the solid state as monomeric species with terminally bonded silylated moieties and a distorted tetrahedral geometry at the Zn center (DeGroot & Corrigan, 2005). We have previously reported on the synthesis and characterization of coordination metal complexes (groups 11 and 13) containing –ESiR₃ (E = O, S, Se; R = Ph, ⁱPr) ligands (Medina, 2005). The group 13 complexes are mainly dimeric with an M₂E₂ central core, whereas group 11 complexes were found to be monomeric. In this paper, we report the crystal structure of trimeric [(ⁱPr₃SiS)Zn(µ-SSiⁱPr₃)₂Zn(µ-SSiⁱPr₃)₂Zn(SSiⁱPr₃)], or [Zn₃(C₉H₂₁SSi)₆], (I).

The structural characteristics of the compound reported here are consistent with structural data for other examples of tri- and tetra-coordinated zinc sulfide complexes; nevertheless, this spiro compound has a unique structure containing both trigonal planar and tetrahedral metal centers bonded to S atoms. The two terminal Zn ions are both three-coordinate and have a single non-bridging silanethiolate ligand (Fig. 1). The central Zn ion is four-coordinate and tetrahedral, with two bridging silanethiolate ligands to each of the two Zn atoms at the ends of the molecule. The idealized point-group symmetry within the S—Zn(µ-s)₂Zn(µ-S)₂Zn—S inorganic core of the molecule is C_2v. The nonbonding intermetallic distances are 3.229 and 3.134 Å for Zn1–Zn2 and Zn1–Zn3, respectively. The angle defined by Zn2–Zn1–Zn3 is 172.3°, consistent with the linear description of the compound. The overall packing of the molecules within the crystal appears to be governed by intermolecular aliphatic interactions. The periphery of the molecule is an essentially uniform hydrocarbon surface that offers numerous points for favorable hydrophobic intermolecular contacts. Thus, the individual molecules pack in an end-to-end fashion with the molecular axis essentially collinear with the b axis and numerous intermolecular contacts made between molecules along the length of the molecule.

Structurally identified homoleptic silanethiolate complexes are comparatively few in number. The title compound represents not only the first such example for zinc but also the first crystallographically characterized trimetallic species with this ligand type for any element. Dimetallic (Sydora et al. 2006) and cyclic tetrametallic silanethiolate molecules (Komuro et al., 2002, 2004; Küchmann et al., 2005), possibly with metal–metal bonding interactions (Küchmann et al., 2005), have been described. The structure type observed for (I) also does not appear to have a precedent within the larger body of structurally authenticated homoleptic alkanethiolate complexes of Zn. This larger set of complexes includes two- (Nguyen et al., 2005; Ellison & Power, 1994), three- (Gruff & Koch, 1989; Matsunaga, et al., 2005) and four-coordinate mononuclear zinc thiolates (Ueyama et al., 1988; Silver et al., 1993), three- (Grutzmacher et al., 1992; Bochmann et al., 1993) and four-coordinate dinuclear Zn thiolates (Watson et al., 1985; Abrahams et al., 1987; Gelinsky & Vahrenkamp, 2002) and adamantanoid-type tetranuclear anions with tetrahedral coordination at zinc (Hencher et al., 1985; Gelinsky & Vahrenkamp, 2002), but no species with mixed coordination numbers at the metal. The closest analogs to compound (I), showing coordination numbers of both three and four, are the arenethiolate complexes [(2,6-ⁱPr₂C₆H₃S)E(µ-2,6-ⁱPr₂C₆H₃S)₂E (µ-2,6-ⁱPr₂C₆H₃S)₂E(2,6-ⁱPr₂C₆H₃S)] (E = Sn or Pb) (Hitchcock et al., 1983). These molecules, however, reveal a pronounced nonlinear arrangement of the metal atoms.

Related literature

For related literature, see: Abrahams et al. (1987); Bochmann et al. (1993); Bonaisa & Arnold (1992); DeGroot & Corrigan (2005); Ellison & Power (1994); Gruff & Koch (1989); Grutzmacher et al. (1992); Hencher et al. (1985); Hitchcock et al. (1983); Komuro et al. (2002, 2004); Matsunaga et al. (2005); Nguyen et al. (2005); Nyman et al. (1997); Perez-Lourido, Romero, Garcia-Vasquez & Sousa (1999); Silver et al. (1993); Sydora et al. (2006); Ueyama et al. (1988); Vittal & Ng (2006); Watson et al. (1985); Zhang et al. (1991).

S2. Experimental

5 ml of a 1.0 M solution of diethylzinc in hexanes (0.005) was added dropwise to a solution of 2.15 ml (0.01 mol) of HSSiⁱPr₃ in 25 ml of the same solvent, which resulted in immediate gas evolution. This reaction mixture was stirred for 12 h, and the solvent was removed under reduced pressure. The solid residue was dissolved with hexanes (~5 ml) and cooled to 273 K for 24 h. Clear colorless crystals were obtained. The solvent was removed with a syringe in order to eliminate impurities. The crystals were redissolved in hexanes (~5 ml), and the solution was again cooled to 273 K for 24 h. Clear colorless crystals were obtained. The solvent was removed, and the crystals were dried under reduced pressure.

S3. Refinement

Tertiary H atoms were placed in calculated positions (C—H = 0.98–0.99 Å) and included as riding contributions with isotropic displacement parameters 1.2–1.5 times those of the attached C atoms. All methyl H atoms were similarly refined as riding atoms with fixed C—H distances of 0.98 Å but with the rotational disposition of the methyl group determined as an optimal fit using AFIX 137. One methyl C atom of one isopropyl group was disordered over two positions and refined with a split atom model as a 69:31 distribution.

Computing details

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b); molecular graphics: SHELXTL (Sheldrick, 2008b); software used to prepare material for publication: SHELXTL (Sheldrick, 2008b).

Figures

Fig. 1. [(^iPr3SiS)Zn(µ-SSi^iPr3)2Zn(µ-SSi^iPr3)2Zn(SSi^iPr3)] shown with 50% probability ellipsoids.

Tetrakis(µ-triisopropylsilanethiolato)-1:2κ⁴S:S;2:3κ⁴S:S-bis(triisopropylsilanethiolato)-1κS,3κS-trizinc(II)

Crystal data

[Zn3(C9H21SSi)6]	F(000) = 2880
Mr = 1332.56	Dx = 1.197 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 9740 reflections
a = 15.179 (7) Å	θ = 2.3–28.3°
b = 13.746 (6) Å	µ = 1.26 mm^−1
c = 36.180 (16) Å	T = 100 K
β = 101.564 (7)°	Block, colorless
V = 7396 (6) Å^3	0.35 × 0.29 × 0.25 mm
Z = 4

Data collection

Bruker APEXI CCD diffractometer	17610 independent reflections
Radiation source: sealed tube	15542 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.030
ϕ and ω scans	θmax = 28.5°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 2008a)	h = −20→19
Tmin = 0.665, Tmax = 0.744	k = −18→17
63046 measured reflections	l = −47→46

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)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.111	H-atom parameters constrained
S = 1.28	w = 1/[σ^2(Fo^2) + (0.0087P)^2 + 16.3584P] where P = (Fo^2 + 2Fc^2)/3
17610 reflections	(Δ/σ)max = 0.001
669 parameters	Δρmax = 0.58 e Å^−3
0 restraints	Δρmin = −0.45 e Å^−3

Special details

Experimental. The diffraction data were collected in three sets of 606 frames (0.3 °. width in ω) at ϕ = 0, 120 and 240 °. A scan time of 60 sec/frame was used.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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 > 2σ(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)
Zn1	0.28708 (2)	0.51398 (3)	0.102933 (10)	0.02357 (8)
Zn2	0.45712 (3)	0.36977 (3)	0.108434 (11)	0.02789 (9)
Zn3	0.14024 (3)	0.67387 (3)	0.103689 (11)	0.02602 (9)
S1	0.58556 (6)	0.29507 (7)	0.11074 (3)	0.0380 (2)
S2	0.44666 (5)	0.53492 (6)	0.11727 (2)	0.02735 (17)
S3	0.30311 (5)	0.34417 (6)	0.09386 (2)	0.02443 (16)
S4	0.20377 (5)	0.56206 (6)	0.14910 (2)	0.02515 (16)
S5	0.20040 (5)	0.60835 (5)	0.05464 (2)	0.02235 (15)
S6	0.06627 (7)	0.81151 (7)	0.09640 (2)	0.0354 (2)
Si1	0.58834 (7)	0.16615 (8)	0.14369 (3)	0.0344 (2)
Si2	0.55344 (6)	0.59366 (7)	0.16072 (3)	0.02717 (19)
Si3	0.26116 (6)	0.26751 (6)	0.03994 (2)	0.02294 (17)
Si4	0.11637 (6)	0.44216 (7)	0.15818 (2)	0.02631 (19)
Si5	0.27322 (6)	0.71949 (6)	0.03038 (2)	0.02200 (17)
Si6	0.03771 (7)	0.86234 (7)	0.14840 (3)	0.0305 (2)
C1	0.6625 (3)	0.1908 (4)	0.19137 (12)	0.0510 (11)
H1	0.6288	0.2384	0.2042	0.061*
C2	0.7518 (3)	0.2399 (4)	0.18952 (16)	0.0693 (15)
H2A	0.7827	0.2581	0.2150	0.104*
H2B	0.7404	0.2983	0.1737	0.104*
H2C	0.7895	0.1947	0.1786	0.104*
C3	0.6778 (4)	0.1016 (5)	0.21696 (15)	0.0806 (19)
H3A	0.7131	0.0533	0.2063	0.121*
H3B	0.6196	0.0734	0.2189	0.121*
H3C	0.7104	0.1208	0.2421	0.121*
C4	0.4703 (3)	0.1327 (3)	0.14915 (12)	0.0422 (9)
H4	0.4301	0.1461	0.1242	0.051*
C5	0.4357 (3)	0.1959 (4)	0.17786 (12)	0.0507 (11)
H5A	0.3716	0.1830	0.1764	0.076*
H5B	0.4441	0.2647	0.1723	0.076*
H5C	0.4691	0.1807	0.2033	0.076*
C6	0.4571 (4)	0.0255 (4)	0.15765 (16)	0.0660 (14)
H6A	0.4927	0.0094	0.1826	0.099*
H6B	0.4768	−0.0149	0.1385	0.099*
H6C	0.3934	0.0132	0.1573	0.099*
C7	0.6334 (4)	0.0687 (4)	0.11602 (14)	0.0612 (14)
H7	0.6244	0.0063	0.1290	0.073*
C8	0.5764 (3)	0.0585 (3)	0.07609 (13)	0.0575 (12)
H8A	0.5794	0.1190	0.0621	0.086*
H8B	0.5138	0.0453	0.0776	0.086*
H8C	0.5995	0.0047	0.0630	0.086*
C9A	0.7256 (4)	0.0713 (6)	0.1154 (2)	0.059 (2)	0.691 (10)
H9A1	0.7605	0.0618	0.1411	0.089*	0.691 (10)
H9A2	0.7407	0.1346	0.1058	0.089*	0.691 (10)
H9A3	0.7399	0.0195	0.0990	0.089*	0.691 (10)
C9B	0.6867 (12)	−0.0133 (11)	0.1351 (6)	0.069 (6)	0.309 (10)
H9B1	0.7072	−0.0541	0.1163	0.103*	0.309 (10)
H9B2	0.6494	−0.0521	0.1487	0.103*	0.309 (10)
H9B3	0.7389	0.0119	0.1530	0.103*	0.309 (10)
C10	0.5999 (3)	0.4933 (3)	0.19477 (10)	0.0380 (8)
H10	0.6106	0.4369	0.1788	0.046*
C11	0.6926 (3)	0.5191 (4)	0.21908 (15)	0.0680 (15)
H11A	0.6852	0.5696	0.2373	0.102*
H11B	0.7322	0.5431	0.2028	0.102*
H11C	0.7191	0.4610	0.2326	0.102*
C12	0.5364 (4)	0.4563 (4)	0.21922 (14)	0.0636 (14)
H12A	0.5598	0.3954	0.2315	0.095*
H12B	0.4768	0.4448	0.2034	0.095*
H12C	0.5315	0.5050	0.2385	0.095*
C13	0.6448 (2)	0.6342 (3)	0.13574 (10)	0.0337 (8)
H13	0.6952	0.6591	0.1557	0.040*
C14	0.6835 (3)	0.5516 (3)	0.11582 (13)	0.0504 (11)
H14A	0.6367	0.5257	0.0956	0.076*
H14B	0.7051	0.4997	0.1340	0.076*
H14C	0.7336	0.5761	0.1051	0.076*
C15	0.6169 (3)	0.7182 (3)	0.10817 (12)	0.0492 (10)
H15A	0.6687	0.7393	0.0978	0.074*
H15B	0.5953	0.7726	0.1214	0.074*
H15C	0.5687	0.6964	0.0876	0.074*
C16	0.5074 (2)	0.7034 (3)	0.18120 (11)	0.0360 (8)
H16	0.4831	0.7472	0.1595	0.043*
C17	0.5813 (3)	0.7615 (3)	0.20734 (14)	0.0566 (12)
H17A	0.5556	0.8216	0.2152	0.085*
H17B	0.6292	0.7777	0.1938	0.085*
H17C	0.6061	0.7223	0.2296	0.085*
C18	0.4298 (3)	0.6841 (4)	0.20135 (13)	0.0565 (12)
H18A	0.4517	0.6466	0.2244	0.085*
H18B	0.3826	0.6473	0.1847	0.085*
H18C	0.4051	0.7462	0.2079	0.085*
C19	0.3698 (2)	0.2211 (2)	0.02876 (10)	0.0283 (7)
H19	0.4066	0.1974	0.0532	0.034*
C20	0.4245 (2)	0.3026 (3)	0.01514 (11)	0.0364 (8)
H20A	0.4856	0.2794	0.0153	0.055*
H20B	0.4271	0.3588	0.0320	0.055*
H20C	0.3958	0.3217	−0.0106	0.055*
C21	0.3612 (3)	0.1348 (3)	0.00127 (11)	0.0400 (9)
H21A	0.3262	0.1547	−0.0233	0.060*
H21B	0.3307	0.0808	0.0112	0.060*
H21C	0.4213	0.1139	−0.0015	0.060*
C22	0.1857 (2)	0.1670 (2)	0.05103 (10)	0.0303 (7)
H22	0.1380	0.1987	0.0623	0.036*
C23	0.1372 (3)	0.1112 (3)	0.01602 (12)	0.0397 (9)
H23A	0.1816	0.0773	0.0044	0.060*
H23B	0.1031	0.1570	−0.0022	0.060*
H23C	0.0959	0.0636	0.0235	0.060*
C24	0.2358 (3)	0.0960 (3)	0.08077 (12)	0.0444 (10)
H24A	0.1958	0.0420	0.0840	0.067*
H24B	0.2546	0.1301	0.1048	0.067*
H24C	0.2889	0.0706	0.0724	0.067*
C25	0.1999 (2)	0.3560 (2)	0.00391 (9)	0.0275 (7)
H25	0.2364	0.4171	0.0066	0.033*
C26	0.1072 (2)	0.3835 (3)	0.01114 (10)	0.0325 (7)
H26A	0.0797	0.4324	−0.0073	0.049*
H26B	0.1136	0.4103	0.0366	0.049*
H26C	0.0689	0.3255	0.0087	0.049*
C27	0.1911 (3)	0.3224 (3)	−0.03715 (10)	0.0437 (9)
H27A	0.1541	0.2635	−0.0413	0.066*
H27B	0.2510	0.3084	−0.0421	0.066*
H27C	0.1628	0.3739	−0.0542	0.066*
C28	0.0365 (2)	0.4957 (3)	0.18625 (10)	0.0355 (8)
H28	0.0088	0.5537	0.1717	0.043*
C29	0.0838 (3)	0.5339 (3)	0.22492 (11)	0.0470 (10)
H29A	0.0404	0.5688	0.2367	0.071*
H29B	0.1324	0.5781	0.2218	0.071*
H29C	0.1089	0.4791	0.2410	0.071*
C30	−0.0426 (3)	0.4282 (4)	0.19045 (14)	0.0533 (11)
H30A	−0.0189	0.3691	0.2041	0.080*
H30B	−0.0767	0.4107	0.1654	0.080*
H30C	−0.0821	0.4621	0.2046	0.080*
C31	0.1959 (3)	0.3453 (3)	0.18283 (10)	0.0345 (8)
H31	0.2173	0.3086	0.1625	0.041*
C32	0.2802 (3)	0.3851 (3)	0.20888 (13)	0.0537 (11)
H32A	0.2629	0.4199	0.2300	0.081*
H32B	0.3113	0.4297	0.1947	0.081*
H32C	0.3203	0.3310	0.2186	0.081*
C33	0.1506 (3)	0.2705 (3)	0.20420 (13)	0.0513 (11)
H33A	0.1915	0.2157	0.2118	0.077*
H33B	0.0953	0.2470	0.1878	0.077*
H33C	0.1359	0.3010	0.2267	0.077*
C34	0.0560 (2)	0.3974 (3)	0.11079 (10)	0.0343 (8)
H34	0.1028	0.3930	0.0950	0.041*
C35	−0.0150 (3)	0.4683 (3)	0.09013 (11)	0.0435 (9)
H35A	−0.0369	0.4454	0.0643	0.065*
H35B	0.0119	0.5330	0.0895	0.065*
H35C	−0.0652	0.4718	0.1034	0.065*
C36	0.0168 (3)	0.2945 (3)	0.11121 (12)	0.0494 (10)
H36A	−0.0329	0.2953	0.1248	0.074*
H36B	0.0637	0.2500	0.1238	0.074*
H36C	−0.0055	0.2726	0.0852	0.074*
C37	0.3205 (2)	0.6566 (2)	−0.00756 (9)	0.0271 (7)
H37	0.3535	0.7071	−0.0194	0.033*
C38	0.2482 (3)	0.6144 (3)	−0.03906 (10)	0.0353 (8)
H38A	0.2767	0.5852	−0.0584	0.053*
H38B	0.2074	0.6665	−0.0504	0.053*
H38C	0.2140	0.5646	−0.0286	0.053*
C39	0.3892 (2)	0.5778 (3)	0.00832 (11)	0.0333 (8)
H39A	0.3595	0.5266	0.0202	0.050*
H39B	0.4377	0.6066	0.0271	0.050*
H39C	0.4143	0.5497	−0.0122	0.050*
C40	0.3654 (2)	0.7704 (2)	0.06811 (10)	0.0278 (7)
H40	0.4083	0.7160	0.0770	0.033*
C41	0.4184 (3)	0.8501 (3)	0.05278 (12)	0.0444 (9)
H41A	0.3799	0.9071	0.0460	0.067*
H41B	0.4386	0.8260	0.0304	0.067*
H41C	0.4708	0.8682	0.0721	0.067*
C42	0.3308 (3)	0.8074 (3)	0.10248 (10)	0.0389 (8)
H42A	0.3799	0.8393	0.1200	0.058*
H42B	0.3082	0.7525	0.1152	0.058*
H42C	0.2820	0.8541	0.0943	0.058*
C43	0.1925 (2)	0.8198 (2)	0.01002 (9)	0.0274 (7)
H43	0.1929	0.8684	0.0306	0.033*
C44	0.2264 (3)	0.8731 (3)	−0.02192 (11)	0.0375 (8)
H44A	0.2239	0.8289	−0.0434	0.056*
H44B	0.2886	0.8944	−0.0128	0.056*
H44C	0.1882	0.9298	−0.0299	0.056*
C45	0.0952 (2)	0.7875 (3)	−0.00330 (10)	0.0378 (8)
H45A	0.0587	0.8432	−0.0142	0.057*
H45B	0.0720	0.7620	0.0182	0.057*
H45C	0.0924	0.7365	−0.0224	0.057*
C46	0.1427 (3)	0.8978 (3)	0.18361 (11)	0.0371 (8)
H46	0.1225	0.9254	0.2061	0.045*
C47	0.1986 (3)	0.9764 (3)	0.16916 (13)	0.0508 (11)
H47A	0.2503	0.9931	0.1890	0.076*
H47B	0.1614	1.0345	0.1622	0.076*
H47C	0.2197	0.9521	0.1470	0.076*
C48	0.2030 (3)	0.8105 (3)	0.19746 (13)	0.0517 (11)
H48A	0.2256	0.7824	0.1763	0.078*
H48B	0.1682	0.7614	0.2080	0.078*
H48C	0.2538	0.8319	0.2170	0.078*
C49	−0.0212 (3)	0.7636 (3)	0.17008 (11)	0.0407 (9)
H49	0.0216	0.7075	0.1743	0.049*
C50	−0.1060 (3)	0.7257 (4)	0.14364 (15)	0.0633 (13)
H50A	−0.1292	0.6691	0.1551	0.095*
H50B	−0.0913	0.7067	0.1195	0.095*
H50C	−0.1518	0.7769	0.1394	0.095*
C51	−0.0408 (4)	0.7887 (4)	0.20876 (15)	0.0772 (18)
H51A	−0.0850	0.8415	0.2061	0.116*
H51B	0.0149	0.8095	0.2256	0.116*
H51C	−0.0648	0.7313	0.2194	0.116*
C52	−0.0387 (3)	0.9713 (3)	0.13556 (13)	0.0468 (10)
H52	−0.1011	0.9446	0.1288	0.056*
C53	−0.0378 (3)	1.0390 (3)	0.16978 (15)	0.0604 (13)
H53A	0.0233	1.0637	0.1789	0.091*
H53B	−0.0572	1.0025	0.1900	0.091*
H53C	−0.0788	1.0937	0.1622	0.091*
C54	−0.0249 (4)	1.0288 (3)	0.10165 (15)	0.0642 (14)
H54A	−0.0676	1.0830	0.0973	0.096*
H54B	−0.0347	0.9864	0.0794	0.096*
H54C	0.0367	1.0542	0.1062	0.096*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.02232 (18)	0.02106 (18)	0.02772 (18)	0.00206 (14)	0.00595 (14)	−0.00033 (14)
Zn2	0.02388 (19)	0.0262 (2)	0.0323 (2)	0.00390 (15)	0.00257 (15)	−0.00257 (16)
Zn3	0.02532 (19)	0.02365 (19)	0.03045 (19)	0.00391 (15)	0.00887 (15)	−0.00014 (15)
S1	0.0269 (4)	0.0316 (5)	0.0561 (6)	0.0058 (4)	0.0095 (4)	0.0022 (4)
S2	0.0208 (4)	0.0251 (4)	0.0345 (4)	−0.0009 (3)	0.0014 (3)	−0.0054 (3)
S3	0.0234 (4)	0.0207 (4)	0.0285 (4)	0.0012 (3)	0.0035 (3)	−0.0027 (3)
S4	0.0258 (4)	0.0240 (4)	0.0269 (4)	0.0005 (3)	0.0082 (3)	0.0009 (3)
S5	0.0222 (4)	0.0203 (4)	0.0253 (4)	−0.0003 (3)	0.0064 (3)	−0.0001 (3)
S6	0.0436 (5)	0.0344 (5)	0.0298 (4)	0.0169 (4)	0.0109 (4)	0.0015 (4)
Si1	0.0323 (5)	0.0299 (5)	0.0395 (5)	0.0079 (4)	0.0039 (4)	−0.0030 (4)
Si2	0.0236 (4)	0.0286 (5)	0.0279 (4)	−0.0006 (4)	0.0020 (3)	−0.0037 (4)
Si3	0.0218 (4)	0.0188 (4)	0.0289 (4)	−0.0015 (3)	0.0066 (3)	−0.0020 (3)
Si4	0.0271 (5)	0.0265 (5)	0.0255 (4)	−0.0003 (4)	0.0056 (3)	0.0035 (4)
Si5	0.0207 (4)	0.0187 (4)	0.0273 (4)	0.0001 (3)	0.0063 (3)	0.0001 (3)
Si6	0.0328 (5)	0.0281 (5)	0.0326 (5)	0.0061 (4)	0.0110 (4)	−0.0026 (4)
C1	0.035 (2)	0.066 (3)	0.048 (2)	0.017 (2)	−0.0016 (18)	−0.008 (2)
C2	0.046 (3)	0.074 (4)	0.076 (3)	0.004 (3)	−0.017 (2)	−0.016 (3)
C3	0.060 (3)	0.119 (5)	0.058 (3)	0.023 (3)	0.000 (3)	0.030 (3)
C4	0.040 (2)	0.042 (2)	0.044 (2)	−0.0034 (18)	0.0078 (17)	0.0001 (17)
C5	0.043 (2)	0.061 (3)	0.049 (2)	0.005 (2)	0.0124 (19)	0.001 (2)
C6	0.068 (3)	0.050 (3)	0.085 (4)	−0.014 (2)	0.029 (3)	0.002 (3)
C7	0.080 (4)	0.046 (3)	0.057 (3)	0.032 (3)	0.013 (3)	−0.005 (2)
C8	0.071 (3)	0.041 (2)	0.063 (3)	−0.002 (2)	0.020 (2)	−0.018 (2)
C9A	0.048 (4)	0.074 (5)	0.059 (4)	0.015 (4)	0.015 (3)	−0.007 (4)
C9B	0.072 (11)	0.029 (8)	0.113 (15)	0.022 (7)	0.036 (10)	−0.004 (8)
C10	0.039 (2)	0.038 (2)	0.0338 (18)	0.0019 (16)	−0.0001 (15)	0.0005 (16)
C11	0.064 (3)	0.060 (3)	0.063 (3)	−0.004 (3)	−0.027 (2)	0.017 (3)
C12	0.074 (3)	0.065 (3)	0.055 (3)	0.008 (3)	0.021 (3)	0.023 (2)
C13	0.0218 (16)	0.039 (2)	0.0401 (19)	−0.0055 (14)	0.0048 (14)	−0.0053 (16)
C14	0.040 (2)	0.055 (3)	0.062 (3)	−0.007 (2)	0.025 (2)	−0.012 (2)
C15	0.040 (2)	0.057 (3)	0.052 (2)	−0.011 (2)	0.0120 (19)	0.008 (2)
C16	0.0309 (18)	0.036 (2)	0.0383 (19)	0.0036 (15)	−0.0002 (15)	−0.0119 (16)
C17	0.045 (2)	0.053 (3)	0.069 (3)	−0.007 (2)	0.005 (2)	−0.031 (2)
C18	0.038 (2)	0.073 (3)	0.059 (3)	0.001 (2)	0.011 (2)	−0.031 (2)
C19	0.0237 (16)	0.0258 (16)	0.0373 (18)	0.0013 (13)	0.0111 (13)	−0.0017 (14)
C20	0.0309 (19)	0.036 (2)	0.045 (2)	−0.0026 (15)	0.0150 (16)	−0.0008 (16)
C21	0.037 (2)	0.035 (2)	0.051 (2)	0.0012 (16)	0.0173 (17)	−0.0123 (17)
C22	0.0249 (16)	0.0227 (16)	0.045 (2)	0.0004 (13)	0.0120 (14)	−0.0001 (14)
C23	0.0329 (19)	0.0278 (18)	0.059 (2)	−0.0067 (15)	0.0111 (17)	−0.0094 (17)
C24	0.047 (2)	0.031 (2)	0.057 (2)	−0.0052 (17)	0.0135 (19)	0.0124 (18)
C25	0.0271 (17)	0.0252 (16)	0.0297 (16)	−0.0022 (13)	0.0045 (13)	−0.0005 (13)
C26	0.0294 (18)	0.0290 (18)	0.0371 (18)	0.0013 (14)	0.0020 (14)	0.0006 (14)
C27	0.050 (2)	0.052 (2)	0.0277 (18)	0.007 (2)	0.0047 (16)	0.0002 (17)
C28	0.0321 (18)	0.037 (2)	0.0407 (19)	0.0013 (15)	0.0149 (15)	0.0031 (16)
C29	0.056 (3)	0.050 (3)	0.039 (2)	0.004 (2)	0.0200 (19)	−0.0036 (18)
C30	0.039 (2)	0.064 (3)	0.063 (3)	−0.010 (2)	0.026 (2)	0.002 (2)
C31	0.039 (2)	0.0322 (19)	0.0322 (17)	0.0054 (15)	0.0068 (15)	0.0064 (15)
C32	0.046 (2)	0.053 (3)	0.054 (3)	0.007 (2)	−0.008 (2)	0.014 (2)
C33	0.065 (3)	0.037 (2)	0.053 (2)	0.000 (2)	0.016 (2)	0.0163 (19)
C34	0.0317 (18)	0.039 (2)	0.0308 (17)	−0.0035 (15)	0.0032 (14)	−0.0002 (15)
C35	0.036 (2)	0.049 (2)	0.041 (2)	−0.0080 (18)	−0.0033 (16)	0.0077 (18)
C36	0.058 (3)	0.040 (2)	0.046 (2)	−0.013 (2)	0.002 (2)	−0.0093 (18)
C37	0.0273 (16)	0.0217 (15)	0.0352 (17)	0.0006 (13)	0.0132 (14)	0.0002 (13)
C38	0.042 (2)	0.0307 (18)	0.0340 (18)	0.0027 (16)	0.0105 (16)	−0.0064 (15)
C39	0.0290 (18)	0.0268 (17)	0.047 (2)	0.0031 (14)	0.0160 (16)	−0.0008 (15)
C40	0.0226 (15)	0.0202 (15)	0.0387 (18)	0.0001 (12)	0.0015 (13)	−0.0011 (13)
C41	0.036 (2)	0.035 (2)	0.061 (3)	−0.0130 (17)	0.0060 (18)	0.0008 (18)
C42	0.040 (2)	0.036 (2)	0.0360 (19)	−0.0010 (16)	−0.0020 (16)	−0.0078 (16)
C43	0.0295 (17)	0.0238 (16)	0.0284 (16)	0.0058 (13)	0.0045 (13)	0.0018 (13)
C44	0.045 (2)	0.0268 (18)	0.041 (2)	0.0050 (16)	0.0093 (17)	0.0084 (15)
C45	0.0273 (18)	0.048 (2)	0.0360 (19)	0.0072 (16)	0.0027 (15)	0.0052 (17)
C46	0.043 (2)	0.0328 (19)	0.0371 (19)	−0.0007 (16)	0.0117 (16)	−0.0063 (15)
C47	0.050 (3)	0.050 (3)	0.054 (3)	−0.015 (2)	0.015 (2)	−0.004 (2)
C48	0.050 (3)	0.046 (2)	0.051 (2)	0.007 (2)	−0.010 (2)	−0.008 (2)
C49	0.048 (2)	0.039 (2)	0.038 (2)	−0.0044 (18)	0.0172 (17)	−0.0060 (16)
C50	0.040 (2)	0.074 (4)	0.077 (3)	−0.017 (2)	0.013 (2)	−0.005 (3)
C51	0.110 (5)	0.073 (4)	0.064 (3)	−0.030 (3)	0.054 (3)	−0.016 (3)
C52	0.042 (2)	0.038 (2)	0.061 (3)	0.0139 (18)	0.0116 (19)	−0.0056 (19)
C53	0.065 (3)	0.045 (3)	0.075 (3)	0.018 (2)	0.024 (3)	−0.013 (2)
C54	0.076 (4)	0.043 (3)	0.071 (3)	0.023 (2)	0.008 (3)	0.006 (2)

Geometric parameters (Å, º)

Zn1—Zn3	3.1344 (11)	C21—H21C	0.9800
Zn1—S2	2.3907 (14)	C22—C23	1.537 (5)
Zn1—S3	2.3764 (13)	C22—C24	1.536 (5)
Zn1—S4	2.3818 (11)	C22—H22	1.0000
Zn1—S5	2.3549 (11)	C23—H23A	0.9800
Zn2—S1	2.1902 (13)	C23—H23B	0.9800
Zn2—S2	2.3025 (14)	C23—H23C	0.9800
Zn2—S3	2.3179 (13)	C24—H24A	0.9800
Zn3—S4	2.3144 (11)	C24—H24B	0.9800
Zn3—S5	2.3333 (11)	C24—H24C	0.9800
Zn3—S6	2.1888 (12)	C25—C26	1.529 (5)
S1—Si1	2.1315 (16)	C25—C27	1.536 (5)
S2—Si2	2.1746 (13)	C25—H25	1.0000
S3—Si3	2.1964 (14)	C26—H26A	0.9800
S4—Si4	2.1816 (14)	C26—H26B	0.9800
S5—Si5	2.1714 (13)	C26—H26C	0.9800
S6—Si6	2.1312 (15)	C27—H27A	0.9800
Si1—C7	1.882 (4)	C27—H27B	0.9800
Si1—C1	1.892 (4)	C27—H27C	0.9800
Si1—C4	1.898 (4)	C28—C29	1.531 (5)
Si2—C16	1.877 (4)	C28—C30	1.548 (5)
Si2—C13	1.885 (4)	C28—H28	1.0000
Si2—C10	1.889 (4)	C29—H29A	0.9800
Si3—C19	1.886 (3)	C29—H29B	0.9800
Si3—C25	1.886 (3)	C29—H29C	0.9800
Si3—C22	1.889 (3)	C30—H30A	0.9800
Si4—C34	1.878 (4)	C30—H30B	0.9800
Si4—C28	1.880 (4)	C30—H30C	0.9800
Si4—C31	1.895 (4)	C31—C32	1.530 (6)
Si5—C37	1.882 (3)	C31—C33	1.529 (5)
Si5—C40	1.883 (3)	C31—H31	1.0000
Si5—C43	1.893 (3)	C32—H32A	0.9800
Si6—C49	1.881 (4)	C32—H32B	0.9800
Si6—C46	1.893 (4)	C32—H32C	0.9800
Si6—C52	1.895 (4)	C33—H33A	0.9800
C1—C2	1.527 (7)	C33—H33B	0.9800
C1—C3	1.526 (7)	C33—H33C	0.9800
C1—H1	1.0000	C34—C35	1.531 (5)
C2—H2A	0.9800	C34—C36	1.536 (5)
C2—H2B	0.9800	C34—H34	1.0000
C2—H2C	0.9800	C35—H35A	0.9800
C3—H3A	0.9800	C35—H35B	0.9800
C3—H3B	0.9800	C35—H35C	0.9800
C3—H3C	0.9800	C36—H36A	0.9800
C4—C5	1.526 (6)	C36—H36B	0.9800
C4—C6	1.527 (6)	C36—H36C	0.9800
C4—H4	1.0000	C37—C38	1.530 (5)
C5—H5A	0.9800	C37—C39	1.533 (5)
C5—H5B	0.9800	C37—H37	1.0000
C5—H5C	0.9800	C38—H38A	0.9800
C6—H6A	0.9800	C38—H38B	0.9800
C6—H6B	0.9800	C38—H38C	0.9800
C6—H6C	0.9800	C39—H39A	0.9800
C7—C9A	1.404 (8)	C39—H39B	0.9800
C7—C9B	1.475 (16)	C39—H39C	0.9800
C7—C8	1.534 (7)	C40—C41	1.528 (5)
C7—H7	1.0000	C40—C42	1.531 (5)
C8—H8A	0.9800	C40—H40	1.0000
C8—H8B	0.9800	C41—H41A	0.9800
C8—H8C	0.9800	C41—H41B	0.9800
C9A—H9A1	0.9800	C41—H41C	0.9800
C9A—H9A2	0.9800	C42—H42A	0.9800
C9A—H9A3	0.9800	C42—H42B	0.9800
C9B—H9B1	0.9800	C42—H42C	0.9800
C9B—H9B2	0.9800	C43—C45	1.525 (5)
C9B—H9B3	0.9800	C43—C44	1.541 (5)
C10—C12	1.520 (6)	C43—H43	1.0000
C10—C11	1.544 (6)	C44—H44A	0.9800
C10—H10	1.0000	C44—H44B	0.9800
C11—H11A	0.9800	C44—H44C	0.9800
C11—H11B	0.9800	C45—H45A	0.9800
C11—H11C	0.9800	C45—H45B	0.9800
C12—H12A	0.9800	C45—H45C	0.9800
C12—H12B	0.9800	C46—C47	1.529 (5)
C12—H12C	0.9800	C46—C48	1.532 (6)
C13—C14	1.525 (5)	C46—H46	1.0000
C13—C15	1.528 (6)	C47—H47A	0.9800
C13—H13	1.0000	C47—H47B	0.9800
C14—H14A	0.9800	C47—H47C	0.9800
C14—H14B	0.9800	C48—H48A	0.9800
C14—H14C	0.9800	C48—H48B	0.9800
C15—H15A	0.9800	C48—H48C	0.9800
C15—H15B	0.9800	C49—C51	1.527 (6)
C15—H15C	0.9800	C49—C50	1.533 (6)
C16—C18	1.528 (6)	C49—H49	1.0000
C16—C17	1.537 (5)	C50—H50A	0.9800
C16—H16	1.0000	C50—H50B	0.9800
C17—H17A	0.9800	C50—H50C	0.9800
C17—H17B	0.9800	C51—H51A	0.9800
C17—H17C	0.9800	C51—H51B	0.9800
C18—H18A	0.9800	C51—H51C	0.9800
C18—H18B	0.9800	C52—C54	1.508 (7)
C18—H18C	0.9800	C52—C53	1.546 (6)
C19—C20	1.533 (5)	C52—H52	1.0000
C19—C21	1.537 (5)	C53—H53A	0.9800
C19—H19	1.0000	C53—H53B	0.9800
C20—H20A	0.9800	C53—H53C	0.9800
C20—H20B	0.9800	C54—H54A	0.9800
C20—H20C	0.9800	C54—H54B	0.9800
C21—H21A	0.9800	C54—H54C	0.9800
C21—H21B	0.9800
S2—Zn1—S3	91.20 (3)	H21B—C21—H21C	109.5
S2—Zn1—S4	118.15 (4)	C23—C22—C24	110.4 (3)
S3—Zn1—S4	116.93 (3)	C23—C22—Si3	113.6 (3)
S2—Zn1—S5	119.06 (3)	C24—C22—Si3	112.2 (2)
S3—Zn1—S5	119.74 (4)	C23—C22—H22	106.7
S4—Zn1—S5	94.09 (4)	C24—C22—H22	106.7
S5—Zn1—Zn3	47.75 (3)	Si3—C22—H22	106.7
S3—Zn1—Zn3	141.50 (3)	C22—C23—H23A	109.5
S4—Zn1—Zn3	47.22 (3)	C22—C23—H23B	109.5
S2—Zn1—Zn3	127.23 (3)	H23A—C23—H23B	109.5
S1—Zn2—S2	122.86 (4)	C22—C23—H23C	109.5
S1—Zn2—S3	141.90 (4)	H23A—C23—H23C	109.5
S2—Zn2—S3	94.98 (3)	H23B—C23—H23C	109.5
S4—Zn3—S5	96.47 (4)	C22—C24—H24A	109.5
S4—Zn3—S6	142.21 (4)	C22—C24—H24B	109.5
S5—Zn3—S6	120.77 (4)	H24A—C24—H24B	109.5
S6—Zn3—Zn1	162.47 (3)	C22—C24—H24C	109.5
S4—Zn3—Zn1	49.05 (3)	H24A—C24—H24C	109.5
S5—Zn3—Zn1	48.34 (2)	H24B—C24—H24C	109.5
Si1—S1—Zn2	109.20 (5)	C26—C25—C27	109.6 (3)
Si2—S2—Zn2	113.85 (5)	C26—C25—Si3	112.6 (2)
Si2—S2—Zn1	141.03 (5)	C27—C25—Si3	114.2 (3)
Zn2—S2—Zn1	86.92 (3)	C26—C25—H25	106.6
Si3—S3—Zn2	111.99 (4)	C27—C25—H25	106.6
Si3—S3—Zn1	125.07 (4)	Si3—C25—H25	106.6
Zn2—S3—Zn1	86.90 (3)	C25—C26—H26A	109.5
Si4—S4—Zn3	115.42 (5)	C25—C26—H26B	109.5
Si4—S4—Zn1	108.69 (5)	H26A—C26—H26B	109.5
Zn3—S4—Zn1	83.72 (4)	C25—C26—H26C	109.5
Si5—S5—Zn3	110.14 (5)	H26A—C26—H26C	109.5
Si5—S5—Zn1	115.69 (5)	H26B—C26—H26C	109.5
Zn3—S5—Zn1	83.91 (4)	C25—C27—H27A	109.5
Si6—S6—Zn3	111.55 (5)	C25—C27—H27B	109.5
C7—Si1—C1	113.5 (2)	H27A—C27—H27B	109.5
C7—Si1—C4	109.5 (2)	C25—C27—H27C	109.5
C1—Si1—C4	110.5 (2)	H27A—C27—H27C	109.5
C7—Si1—S1	105.26 (18)	H27B—C27—H27C	109.5
C1—Si1—S1	107.60 (17)	C29—C28—C30	110.3 (3)
C4—Si1—S1	110.26 (14)	C29—C28—Si4	113.1 (3)
C16—Si2—C13	108.62 (18)	C30—C28—Si4	114.5 (3)
C16—Si2—C10	116.69 (18)	C29—C28—H28	106.1
C13—Si2—C10	108.34 (17)	C30—C28—H28	106.1
C16—Si2—S2	107.55 (12)	Si4—C28—H28	106.1
C13—Si2—S2	106.06 (12)	C28—C29—H29A	109.5
C10—Si2—S2	109.08 (13)	C28—C29—H29B	109.5
C19—Si3—C25	113.65 (15)	H29A—C29—H29B	109.5
C19—Si3—C22	113.08 (15)	C28—C29—H29C	109.5
C25—Si3—C22	112.48 (15)	H29A—C29—H29C	109.5
C19—Si3—S3	104.02 (12)	H29B—C29—H29C	109.5
C25—Si3—S3	108.63 (11)	C28—C30—H30A	109.5
C22—Si3—S3	104.03 (12)	C28—C30—H30B	109.5
C34—Si4—C28	111.81 (17)	H30A—C30—H30B	109.5
C34—Si4—C31	110.36 (17)	C28—C30—H30C	109.5
C28—Si4—C31	116.06 (17)	H30A—C30—H30C	109.5
C34—Si4—S4	108.06 (12)	H30B—C30—H30C	109.5
C28—Si4—S4	105.25 (13)	C32—C31—C33	109.5 (3)
C31—Si4—S4	104.63 (13)	C32—C31—Si4	114.5 (3)
C37—Si5—C40	111.25 (15)	C33—C31—Si4	113.7 (3)
C37—Si5—C43	111.25 (15)	C32—C31—H31	106.2
C40—Si5—C43	109.89 (15)	C33—C31—H31	106.2
C37—Si5—S5	105.75 (11)	Si4—C31—H31	106.2
C40—Si5—S5	109.45 (12)	C31—C32—H32A	109.5
C43—Si5—S5	109.15 (11)	C31—C32—H32B	109.5
C49—Si6—C46	108.16 (18)	H32A—C32—H32B	109.5
C49—Si6—C52	110.7 (2)	C31—C32—H32C	109.5
C46—Si6—C52	110.62 (19)	H32A—C32—H32C	109.5
C49—Si6—S6	109.23 (13)	H32B—C32—H32C	109.5
C46—Si6—S6	112.70 (13)	C31—C33—H33A	109.5
C52—Si6—S6	105.41 (14)	C31—C33—H33B	109.5
C2—C1—C3	110.7 (4)	H33A—C33—H33B	109.5
C2—C1—Si1	114.2 (3)	C31—C33—H33C	109.5
C3—C1—Si1	113.5 (4)	H33A—C33—H33C	109.5
C2—C1—H1	105.9	H33B—C33—H33C	109.5
C3—C1—H1	105.9	C35—C34—C36	110.8 (3)
Si1—C1—H1	105.9	C35—C34—Si4	113.9 (3)
C1—C2—H2A	109.5	C36—C34—Si4	114.3 (3)
C1—C2—H2B	109.5	C35—C34—H34	105.7
H2A—C2—H2B	109.5	C36—C34—H34	105.7
C1—C2—H2C	109.5	Si4—C34—H34	105.7
H2A—C2—H2C	109.5	C34—C35—H35A	109.5
H2B—C2—H2C	109.5	C34—C35—H35B	109.5
C1—C3—H3A	109.5	H35A—C35—H35B	109.5
C1—C3—H3B	109.5	C34—C35—H35C	109.5
H3A—C3—H3B	109.5	H35A—C35—H35C	109.5
C1—C3—H3C	109.5	H35B—C35—H35C	109.5
H3A—C3—H3C	109.5	C34—C36—H36A	109.5
H3B—C3—H3C	109.5	C34—C36—H36B	109.5
C5—C4—C6	109.6 (4)	H36A—C36—H36B	109.5
C5—C4—Si1	113.2 (3)	C34—C36—H36C	109.5
C6—C4—Si1	114.8 (3)	H36A—C36—H36C	109.5
C5—C4—H4	106.2	H36B—C36—H36C	109.5
C6—C4—H4	106.2	C38—C37—C39	110.1 (3)
Si1—C4—H4	106.2	C38—C37—Si5	113.3 (2)
C4—C5—H5A	109.5	C39—C37—Si5	112.4 (2)
C4—C5—H5B	109.5	C38—C37—H37	106.9
H5A—C5—H5B	109.5	C39—C37—H37	106.9
C4—C5—H5C	109.5	Si5—C37—H37	106.9
H5A—C5—H5C	109.5	C37—C38—H38A	109.5
H5B—C5—H5C	109.5	C37—C38—H38B	109.5
C4—C6—H6A	109.5	H38A—C38—H38B	109.5
C4—C6—H6B	109.5	C37—C38—H38C	109.5
H6A—C6—H6B	109.5	H38A—C38—H38C	109.5
C4—C6—H6C	109.5	H38B—C38—H38C	109.5
H6A—C6—H6C	109.5	C37—C39—H39A	109.5
H6B—C6—H6C	109.5	C37—C39—H39B	109.5
C9A—C7—C9B	64.7 (8)	H39A—C39—H39B	109.5
C9A—C7—C8	111.3 (5)	C37—C39—H39C	109.5
C9B—C7—C8	121.6 (8)	H39A—C39—H39C	109.5
C9A—C7—Si1	117.3 (5)	H39B—C39—H39C	109.5
C9B—C7—Si1	121.2 (8)	C41—C40—C42	110.4 (3)
C8—C7—Si1	111.7 (3)	C41—C40—Si5	111.9 (3)
C9A—C7—H7	105.1	C42—C40—Si5	112.7 (2)
C8—C7—H7	105.1	C41—C40—H40	107.2
Si1—C7—H7	105.1	C42—C40—H40	107.2
C7—C8—H8A	109.5	Si5—C40—H40	107.2
C7—C8—H8B	109.5	C40—C41—H41A	109.5
H8A—C8—H8B	109.5	C40—C41—H41B	109.5
C7—C8—H8C	109.5	H41A—C41—H41B	109.5
H8A—C8—H8C	109.5	C40—C41—H41C	109.5
H8B—C8—H8C	109.5	H41A—C41—H41C	109.5
C7—C9A—H9A1	109.5	H41B—C41—H41C	109.5
C7—C9A—H9A2	109.5	C40—C42—H42A	109.5
C7—C9A—H9A3	109.5	C40—C42—H42B	109.5
C7—C9B—H9B1	109.5	H42A—C42—H42B	109.5
C7—C9B—H9B2	109.5	C40—C42—H42C	109.5
H9B1—C9B—H9B2	109.5	H42A—C42—H42C	109.5
C7—C9B—H9B3	109.5	H42B—C42—H42C	109.5
H9B1—C9B—H9B3	109.5	C45—C43—C44	110.4 (3)
H9B2—C9B—H9B3	109.5	C45—C43—Si5	114.9 (2)
C12—C10—C11	110.9 (4)	C44—C43—Si5	110.6 (2)
C12—C10—Si2	115.2 (3)	C45—C43—H43	106.9
C11—C10—Si2	112.5 (3)	C44—C43—H43	106.9
C12—C10—H10	105.8	Si5—C43—H43	106.9
C11—C10—H10	105.8	C43—C44—H44A	109.5
Si2—C10—H10	105.8	C43—C44—H44B	109.5
C10—C11—H11A	109.5	H44A—C44—H44B	109.5
C10—C11—H11B	109.5	C43—C44—H44C	109.5
H11A—C11—H11B	109.5	H44A—C44—H44C	109.5
C10—C11—H11C	109.5	H44B—C44—H44C	109.5
H11A—C11—H11C	109.5	C43—C45—H45A	109.5
H11B—C11—H11C	109.5	C43—C45—H45B	109.5
C10—C12—H12A	109.5	H45A—C45—H45B	109.5
C10—C12—H12B	109.5	C43—C45—H45C	109.5
H12A—C12—H12B	109.5	H45A—C45—H45C	109.5
C10—C12—H12C	109.5	H45B—C45—H45C	109.5
H12A—C12—H12C	109.5	C47—C46—C48	109.2 (4)
H12B—C12—H12C	109.5	C47—C46—Si6	113.7 (3)
C14—C13—C15	109.7 (3)	C48—C46—Si6	112.7 (3)
C14—C13—Si2	113.3 (3)	C47—C46—H46	107.0
C15—C13—Si2	113.7 (3)	C48—C46—H46	107.0
C14—C13—H13	106.5	Si6—C46—H46	107.0
C15—C13—H13	106.5	C46—C47—H47A	109.5
Si2—C13—H13	106.5	C46—C47—H47B	109.5
C13—C14—H14A	109.5	H47A—C47—H47B	109.5
C13—C14—H14B	109.5	C46—C47—H47C	109.5
H14A—C14—H14B	109.5	H47A—C47—H47C	109.5
C13—C14—H14C	109.5	H47B—C47—H47C	109.5
H14A—C14—H14C	109.5	C46—C48—H48A	109.5
H14B—C14—H14C	109.5	C46—C48—H48B	109.5
C13—C15—H15A	109.5	H48A—C48—H48B	109.5
C13—C15—H15B	109.5	C46—C48—H48C	109.5
H15A—C15—H15B	109.5	H48A—C48—H48C	109.5
C13—C15—H15C	109.5	H48B—C48—H48C	109.5
H15A—C15—H15C	109.5	C51—C49—C50	110.8 (4)
H15B—C15—H15C	109.5	C51—C49—Si6	114.5 (3)
C18—C16—C17	109.5 (3)	C50—C49—Si6	113.3 (3)
C18—C16—Si2	115.6 (3)	C51—C49—H49	105.8
C17—C16—Si2	112.2 (3)	C50—C49—H49	105.8
C18—C16—H16	106.3	Si6—C49—H49	105.8
C17—C16—H16	106.3	C49—C50—H50A	109.5
Si2—C16—H16	106.3	C49—C50—H50B	109.5
C16—C17—H17A	109.5	H50A—C50—H50B	109.5
C16—C17—H17B	109.5	C49—C50—H50C	109.5
H17A—C17—H17B	109.5	H50A—C50—H50C	109.5
C16—C17—H17C	109.5	H50B—C50—H50C	109.5
H17A—C17—H17C	109.5	C49—C51—H51A	109.5
H17B—C17—H17C	109.5	C49—C51—H51B	109.5
C16—C18—H18A	109.5	H51A—C51—H51B	109.5
C16—C18—H18B	109.5	C49—C51—H51C	109.5
H18A—C18—H18B	109.5	H51A—C51—H51C	109.5
C16—C18—H18C	109.5	H51B—C51—H51C	109.5
H18A—C18—H18C	109.5	C54—C52—C53	110.9 (4)
H18B—C18—H18C	109.5	C54—C52—Si6	115.8 (3)
C20—C19—C21	109.7 (3)	C53—C52—Si6	111.9 (3)
C20—C19—Si3	112.0 (2)	C54—C52—H52	105.8
C21—C19—Si3	115.8 (2)	C53—C52—H52	105.8
C20—C19—H19	106.2	Si6—C52—H52	105.8
C21—C19—H19	106.2	C52—C53—H53A	109.5
Si3—C19—H19	106.2	C52—C53—H53B	109.5
C19—C20—H20A	109.5	H53A—C53—H53B	109.5
C19—C20—H20B	109.5	C52—C53—H53C	109.5
H20A—C20—H20B	109.5	H53A—C53—H53C	109.5
C19—C20—H20C	109.5	H53B—C53—H53C	109.5
H20A—C20—H20C	109.5	C52—C54—H54A	109.5
H20B—C20—H20C	109.5	C52—C54—H54B	109.5
C19—C21—H21A	109.5	H54A—C54—H54B	109.5
C19—C21—H21B	109.5	C52—C54—H54C	109.5
H21A—C21—H21B	109.5	H54A—C54—H54C	109.5
C19—C21—H21C	109.5	H54B—C54—H54C	109.5
H21A—C21—H21C	109.5