Poly[dibutyl-ammonium [nonamethylbis-(μ(3)-sulfato-κ(3)O:O':O'')tristannate(IV)]].

In the structure of the title coordination polymer, {(C(8)H(20)N)[Sn(3)(CH(3))(9)(SO(4))(2)]}(n), each of the three Sn(IV) atoms is coordinated in a trigonal-bipyramidal manner by three methyl groups in the equatorial plane and by two O atoms of SO(4) (2-) anions in the axial positions. The μ(3)-bridging mode of the sulfate anions leads to the formation of corrugated anionic layers parallel to (100). The uncoordinating O atom of one of the two SO(4) (2-) anions is N-H⋯O hydrogen-bonded to the dibutyl-ammonium cation inter-connecting the anionic sheets. The structure is partially disordered. The dibutyl ammonium ion is found on two positions with an occupancy ratio of 0.525 (10):0.475 (10), and one sulfate group with three connecting trimethyl stannyl groups is also positionally disordered over two sets of sites with an occupancy ratio of 0.725 (4):0.275 (4).

Related literature

For applications of tin(IV) compounds, see: Basu et al. (2005 ▶); Evans & Karpel (1985 ▶); Samuel et al. (2002 ▶); Kapoor et al. (2005 ▶). For related organotin(IV) compounds, see: Molloy et al. (1989 ▶); Diop et al. (2002 ▶) Diallo et al. (2009 ▶).

Experimental

Crystal data

(C8H20N)[Sn3(CH3)9(SO4)2]

M = 813.75

Monoclinic,

a = 11.8847 (2) Å

b = 18.2884 (3) Å

c = 15.3949 (2) Å

β = 107.380 (1)°

V = 3193.35 (9) Å3

Z = 4

Mo Kα radiation

μ = 2.49 mm−1

T = 173 K

0.06 × 0.04 × 0.04 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS, Bruker, 2003 ▶) T min = 0.865, T max = 0.907

69889 measured reflections

7234 independent reflections

6265 reflections with I > 2σ(I)

R int = 0.027

Refinement

R[F 2 > 2σ(F 2)] = 0.020

wR(F 2) = 0.045

S = 1.06

7234 reflections

463 parameters

77 restraints

H-atom parameters constrained

Δρmax = 0.76 e Å−3

Δρmin = −0.46 e Å−3

Data collection: SMART (Bruker, 2003 ▶); cell refinement: SAINT (Bruker, 2003 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXLE (Hübschle et al., 2011 ▶); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶); software used to prepare material for publication: publCIF (Westrip (2010 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: 10.1107/S1600536812042894/wm2692sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812042894/wm2692Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

(C8H20N)[Sn3(CH3)9(SO4)2]	F(000) = 1608
Mr = 813.75	Dx = 1.693 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 9693 reflections
a = 11.8847 (2) Å	θ = 2.6–27.5°
b = 18.2884 (3) Å	µ = 2.49 mm−1
c = 15.3949 (2) Å	T = 173 K
β = 107.380 (1)°	Prism, colourless
V = 3193.35 (9) Å3	0.06 × 0.04 × 0.04 mm
Z = 4

Bruker SMART CCD diffractometer	7234 independent reflections
Radiation source: fine-focus sealed tube	6265 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.027
phi and ω scans	θmax = 27.5°, θmin = 2.6°
Absorption correction: multi-scan (SADABS, Bruker, 2003)	h = −15→15
Tmin = 0.865, Tmax = 0.907	k = −23→23
69889 measured reflections	l = −18→19

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.020	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.045	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.0164P)2 + 2.1021P] where P = (Fo2 + 2Fc2)/3
7234 reflections	(Δ/σ)max = 0.004
463 parameters	Δρmax = 0.76 e Å−3
77 restraints	Δρmin = −0.46 e Å−3

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 > 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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sn1	0.19280 (7)	0.52408 (7)	0.43977 (5)	0.02502 (12)	0.725 (4)
C1	0.0484 (7)	0.5964 (5)	0.4208 (8)	0.0473 (16)	0.725 (4)
H1A	0.0467	0.6305	0.3713	0.071*	0.725 (4)
H1B	0.0568	0.6238	0.4770	0.071*	0.725 (4)
H1C	−0.0251	0.5683	0.4052	0.071*	0.725 (4)
C2	0.3636 (5)	0.5703 (3)	0.4693 (8)	0.0441 (16)	0.725 (4)
H2A	0.4138	0.5507	0.5272	0.066*	0.725 (4)
H2B	0.3582	0.6236	0.4739	0.066*	0.725 (4)
H2C	0.3977	0.5581	0.4206	0.066*	0.725 (4)
C3	0.1752 (8)	0.4094 (2)	0.4284 (8)	0.0402 (10)	0.725 (4)
H3A	0.2178	0.3912	0.3872	0.060*	0.725 (4)
H3B	0.0916	0.3966	0.4041	0.060*	0.725 (4)
H3C	0.2080	0.3871	0.4885	0.060*	0.725 (4)
Sn1B	0.1839 (2)	0.54067 (10)	0.43984 (16)	0.02502 (12)	0.275 (4)
C1B	0.0361 (19)	0.6038 (15)	0.436 (2)	0.0473 (16)	0.275 (4)
H1D	0.0052	0.5891	0.4855	0.071*	0.275 (4)
H1E	−0.0247	0.5964	0.3774	0.071*	0.275 (4)
H1F	0.0583	0.6556	0.4426	0.071*	0.275 (4)
C2B	0.3517 (14)	0.5897 (12)	0.467 (2)	0.0441 (16)	0.275 (4)
H2D	0.3535	0.6210	0.4161	0.066*	0.275 (4)
H2E	0.4119	0.5516	0.4760	0.066*	0.275 (4)
H2F	0.3674	0.6193	0.5227	0.066*	0.275 (4)
C3B	0.181 (2)	0.4250 (7)	0.426 (2)	0.0402 (10)	0.275 (4)
H3D	0.1475	0.4120	0.3614	0.060*	0.275 (4)
H3E	0.1326	0.4037	0.4608	0.060*	0.275 (4)
H3F	0.2615	0.4059	0.4484	0.060*	0.275 (4)
Sn2	0.24211 (11)	0.75268 (7)	0.20340 (9)	0.02730 (14)	0.725 (4)
C4	0.3133 (10)	0.7154 (8)	0.1007 (7)	0.0483 (9)	0.725 (4)
H4A	0.3014	0.6625	0.0929	0.072*	0.725 (4)
H4B	0.3979	0.7263	0.1183	0.072*	0.725 (4)
H4C	0.2737	0.7402	0.0432	0.072*	0.725 (4)
C5	0.0582 (5)	0.7575 (10)	0.1795 (8)	0.0491 (14)	0.725 (4)
H5A	0.0396	0.7462	0.2359	0.074*	0.725 (4)
H5B	0.0196	0.7219	0.1325	0.074*	0.725 (4)
H5C	0.0299	0.8068	0.1590	0.074*	0.725 (4)
C6	0.3555 (10)	0.7844 (10)	0.3327 (5)	0.0519 (16)	0.725 (4)
H6A	0.3250	0.7650	0.3806	0.078*	0.725 (4)
H6B	0.3590	0.8379	0.3366	0.078*	0.725 (4)
H6C	0.4347	0.7649	0.3405	0.078*	0.725 (4)
Sn2B	0.2528 (3)	0.7522 (2)	0.1900 (2)	0.02730 (14)	0.275 (4)
C4B	0.323 (3)	0.711 (2)	0.089 (2)	0.0483 (9)	0.275 (4)
H4D	0.3867	0.6771	0.1172	0.072*	0.275 (4)
H4E	0.3529	0.7519	0.0614	0.072*	0.275 (4)
H4F	0.2605	0.6858	0.0428	0.072*	0.275 (4)
C5B	0.0684 (13)	0.759 (3)	0.168 (2)	0.0491 (14)	0.275 (4)
H5D	0.0291	0.7727	0.1050	0.074*	0.275 (4)
H5E	0.0521	0.7964	0.2089	0.074*	0.275 (4)
H5F	0.0387	0.7117	0.1815	0.074*	0.275 (4)
C6B	0.365 (3)	0.784 (3)	0.3199 (15)	0.0519 (16)	0.275 (4)
H6D	0.3242	0.8203	0.3469	0.078*	0.275 (4)
H6E	0.4372	0.8061	0.3129	0.078*	0.275 (4)
H6F	0.3852	0.7414	0.3596	0.078*	0.275 (4)
Sn3	0.48425 (13)	0.49901 (8)	0.23557 (10)	0.02997 (17)	0.725 (4)
C7	0.4615 (6)	0.4916 (5)	0.0949 (4)	0.0587 (14)	0.725 (4)
H7A	0.3880	0.4655	0.0652	0.088*	0.725 (4)
H7B	0.5280	0.4650	0.0848	0.088*	0.725 (4)
H7C	0.4578	0.5409	0.0691	0.088*	0.725 (4)
C8	0.4371 (7)	0.4042 (3)	0.2953 (7)	0.0501 (14)	0.725 (4)
H8A	0.4147	0.4180	0.3494	0.075*	0.725 (4)
H8B	0.5043	0.3706	0.3128	0.075*	0.725 (4)
H8C	0.3703	0.3802	0.2514	0.075*	0.725 (4)
C9	0.5460 (8)	0.5971 (3)	0.3069 (4)	0.0451 (17)	0.725 (4)
H9A	0.5942	0.5855	0.3690	0.068*	0.725 (4)
H9B	0.4786	0.6272	0.3091	0.068*	0.725 (4)
H9C	0.5936	0.6241	0.2755	0.068*	0.725 (4)
Sn3B	0.4842 (3)	0.4875 (2)	0.2556 (2)	0.0272 (4)	0.275 (4)
C7B	0.442 (2)	0.4955 (16)	0.1121 (9)	0.0587 (14)	0.275 (4)
H7D	0.4276	0.4465	0.0853	0.088*	0.275 (4)
H7E	0.5073	0.5184	0.0960	0.088*	0.275 (4)
H7F	0.3705	0.5253	0.0886	0.088*	0.275 (4)
C8B	0.453 (2)	0.3869 (10)	0.306 (2)	0.0501 (14)	0.275 (4)
H8D	0.4458	0.3493	0.2594	0.075*	0.275 (4)
H8E	0.3805	0.3891	0.3234	0.075*	0.275 (4)
H8F	0.5195	0.3746	0.3598	0.075*	0.275 (4)
C9B	0.545 (3)	0.5850 (10)	0.3299 (14)	0.0451 (17)	0.275 (4)
H9D	0.6288	0.5921	0.3355	0.068*	0.275 (4)
H9E	0.5353	0.5810	0.3907	0.068*	0.275 (4)
H9F	0.4996	0.6267	0.2978	0.068*	0.275 (4)
S1	0.22744 (4)	0.56106 (3)	0.66835 (3)	0.02531 (11)
S2	0.20127 (4)	0.56894 (3)	0.22152 (4)	0.02637 (11)
O1	0.21738 (14)	0.51080 (8)	0.59177 (10)	0.0346 (3)
O2	0.25042 (13)	0.63526 (8)	0.63914 (10)	0.0349 (3)
O3	0.12102 (12)	0.56030 (9)	0.69614 (11)	0.0379 (4)
O4	0.32836 (12)	0.53761 (8)	0.74657 (10)	0.0336 (3)
O5	0.29205 (19)	0.53491 (14)	0.1876 (2)	0.0456 (8)	0.725 (4)
O6	0.0959 (3)	0.5803 (2)	0.1412 (3)	0.0323 (8)	0.725 (4)
O7	0.1694 (3)	0.52091 (15)	0.28571 (15)	0.0426 (7)	0.725 (4)
O8	0.2434 (5)	0.6394 (3)	0.2647 (4)	0.0340 (9)	0.725 (4)
O5B	0.2927 (4)	0.5082 (3)	0.2478 (4)	0.0258 (15)	0.275 (4)
O6B	0.1308 (9)	0.5633 (6)	0.1333 (8)	0.035 (2)	0.275 (4)
O7B	0.1313 (4)	0.5615 (4)	0.2883 (4)	0.0275 (14)	0.275 (4)
O8B	0.2728 (12)	0.6375 (8)	0.2442 (10)	0.037 (3)	0.275 (4)
C10	0.1466 (18)	0.2765 (11)	0.122 (2)	0.118 (10)	0.525 (10)
H10A	0.2085	0.3102	0.1168	0.177*	0.525 (10)
H10B	0.1496	0.2318	0.0872	0.177*	0.525 (10)
H10C	0.1590	0.2641	0.1858	0.177*	0.525 (10)
C11	0.0283 (16)	0.3123 (10)	0.0838 (13)	0.078 (6)	0.525 (10)
H11A	−0.0334	0.2802	0.0944	0.093*	0.525 (10)
H11B	0.0113	0.3187	0.0173	0.093*	0.525 (10)
C12	0.0245 (14)	0.3855 (8)	0.1273 (15)	0.055 (5)	0.525 (10)
H12A	0.0433	0.3789	0.1940	0.066*	0.525 (10)
H12B	0.0858	0.4175	0.1160	0.066*	0.525 (10)
C13	−0.0918 (10)	0.4225 (7)	0.0928 (10)	0.046 (3)	0.525 (10)
H13A	−0.1550	0.3893	0.0987	0.056*	0.525 (10)
H13B	−0.1076	0.4347	0.0277	0.056*	0.525 (10)
N1	−0.0914 (11)	0.4906 (6)	0.1463 (10)	0.035 (2)	0.525 (10)
H1G	−0.0931	0.4777	0.2037	0.042*	0.525 (10)
H1H	−0.0238	0.5172	0.1525	0.042*	0.525 (10)
C14	−0.1959 (10)	0.5347 (5)	0.0970 (8)	0.046 (2)	0.525 (10)
H14A	−0.2682	0.5058	0.0911	0.055*	0.525 (10)
H14B	−0.1920	0.5454	0.0350	0.055*	0.525 (10)
C15	−0.2040 (12)	0.6053 (6)	0.1442 (8)	0.052 (3)	0.525 (10)
H15A	−0.1275	0.6311	0.1577	0.062*	0.525 (10)
H15B	−0.2187	0.5945	0.2029	0.062*	0.525 (10)
C16	−0.3018 (10)	0.6557 (5)	0.0880 (8)	0.082 (3)	0.525 (10)
H16A	−0.2873	0.6660	0.0291	0.098*	0.525 (10)
H16B	−0.3782	0.6298	0.0748	0.098*	0.525 (10)
C17	−0.3111 (7)	0.7268 (4)	0.1333 (8)	0.091 (3)	0.525 (10)
H17A	−0.3710	0.7575	0.0917	0.136*	0.525 (10)
H17B	−0.2348	0.7519	0.1495	0.136*	0.525 (10)
H17C	−0.3337	0.7176	0.1886	0.136*	0.525 (10)
C10B	0.1311 (16)	0.2763 (11)	0.118 (2)	0.089 (8)	0.475 (10)
H10D	0.2031	0.3041	0.1223	0.134*	0.475 (10)
H10E	0.1269	0.2341	0.0776	0.134*	0.475 (10)
H10F	0.1322	0.2593	0.1783	0.134*	0.475 (10)
C11B	0.0255 (19)	0.3243 (11)	0.0792 (15)	0.075 (6)	0.475 (10)
H11C	−0.0467	0.2946	0.0703	0.090*	0.475 (10)
H11D	0.0264	0.3421	0.0187	0.090*	0.475 (10)
C12B	0.0191 (12)	0.3895 (9)	0.1379 (17)	0.049 (5)	0.475 (10)
H12C	0.0920	0.4189	0.1487	0.059*	0.475 (10)
H12D	0.0142	0.3723	0.1976	0.059*	0.475 (10)
C13B	−0.0881 (12)	0.4379 (7)	0.0930 (13)	0.055 (4)	0.475 (10)
H13C	−0.0844	0.4524	0.0320	0.066*	0.475 (10)
H13D	−0.1603	0.4082	0.0842	0.066*	0.475 (10)
N1B	−0.0993 (13)	0.5058 (7)	0.1445 (11)	0.036 (2)	0.475 (10)
H1I	−0.1010	0.4929	0.2019	0.043*	0.475 (10)
H1J	−0.0317	0.5324	0.1507	0.043*	0.475 (10)
C14B	−0.2004 (10)	0.5555 (6)	0.1088 (8)	0.043 (2)	0.475 (10)
H14C	−0.2746	0.5277	0.0987	0.052*	0.475 (10)
H14D	−0.1985	0.5753	0.0494	0.052*	0.475 (10)
C15B	−0.1988 (14)	0.6180 (8)	0.1730 (8)	0.045 (2)	0.475 (10)
H15C	−0.1276	0.6483	0.1803	0.054*	0.475 (10)
H15D	−0.1970	0.5988	0.2336	0.054*	0.475 (10)
C16B	−0.3104 (8)	0.6649 (6)	0.1338 (8)	0.069 (3)	0.475 (10)
H16C	−0.3800	0.6322	0.1174	0.082*	0.475 (10)
H16D	−0.3188	0.6985	0.1819	0.082*	0.475 (10)
C17B	−0.3107 (9)	0.7085 (6)	0.0530 (7)	0.104 (4)	0.475 (10)
H17D	−0.2393	0.7386	0.0671	0.155*	0.475 (10)
H17E	−0.3803	0.7401	0.0360	0.155*	0.475 (10)
H17F	−0.3125	0.6756	0.0023	0.155*	0.475 (10)

	U11	U22	U33	U12	U13	U23
Sn1	0.02974 (15)	0.0191 (3)	0.02525 (9)	−0.0002 (2)	0.00679 (9)	0.0016 (2)
C1	0.040 (2)	0.039 (2)	0.054 (4)	0.0089 (15)	0.0003 (19)	−0.003 (2)
C2	0.0365 (18)	0.062 (4)	0.0331 (15)	−0.011 (2)	0.0091 (15)	0.002 (3)
C3	0.0535 (16)	0.027 (2)	0.0405 (15)	−0.004 (2)	0.0147 (16)	−0.012 (3)
Sn1B	0.02974 (15)	0.0191 (3)	0.02525 (9)	−0.0002 (2)	0.00679 (9)	0.0016 (2)
C1B	0.040 (2)	0.039 (2)	0.054 (4)	0.0089 (15)	0.0003 (19)	−0.003 (2)
C2B	0.0365 (18)	0.062 (4)	0.0331 (15)	−0.011 (2)	0.0091 (15)	0.002 (3)
C3B	0.0535 (16)	0.027 (2)	0.0405 (15)	−0.004 (2)	0.0147 (16)	−0.012 (3)
Sn2	0.0307 (2)	0.02653 (8)	0.0250 (4)	−0.00035 (13)	0.00894 (16)	0.0003 (2)
C4	0.058 (3)	0.042 (3)	0.055 (3)	0.0052 (16)	0.0309 (17)	−0.008 (2)
C5	0.0383 (17)	0.040 (2)	0.074 (3)	−0.0031 (19)	0.0245 (17)	0.005 (3)
C6	0.072 (3)	0.0378 (16)	0.033 (3)	−0.005 (2)	−0.004 (2)	0.002 (3)
Sn2B	0.0307 (2)	0.02653 (8)	0.0250 (4)	−0.00035 (13)	0.00894 (16)	0.0003 (2)
C4B	0.058 (3)	0.042 (3)	0.055 (3)	0.0052 (16)	0.0309 (17)	−0.008 (2)
C5B	0.0383 (17)	0.040 (2)	0.074 (3)	−0.0031 (19)	0.0245 (17)	0.005 (3)
C6B	0.072 (3)	0.0378 (16)	0.033 (3)	−0.005 (2)	−0.004 (2)	0.002 (3)
Sn3	0.02517 (15)	0.0352 (4)	0.0292 (5)	0.0003 (2)	0.0076 (3)	−0.0033 (3)
C7	0.045 (3)	0.096 (3)	0.032 (3)	0.000 (2)	0.0078 (19)	−0.003 (3)
C8	0.041 (3)	0.056 (4)	0.052 (3)	−0.009 (3)	0.011 (2)	0.004 (3)
C9	0.0316 (13)	0.044 (3)	0.061 (4)	−0.005 (2)	0.016 (3)	−0.016 (3)
Sn3B	0.0278 (4)	0.0324 (9)	0.0210 (10)	0.0030 (5)	0.0068 (6)	−0.0003 (6)
C7B	0.045 (3)	0.096 (3)	0.032 (3)	0.000 (2)	0.0078 (19)	−0.003 (3)
C8B	0.041 (3)	0.056 (4)	0.052 (3)	−0.009 (3)	0.011 (2)	0.004 (3)
C9B	0.0316 (13)	0.044 (3)	0.061 (4)	−0.005 (2)	0.016 (3)	−0.016 (3)
S1	0.0256 (2)	0.0280 (3)	0.0235 (3)	−0.00012 (19)	0.0090 (2)	−0.0016 (2)
S2	0.0255 (2)	0.0269 (3)	0.0264 (3)	−0.00036 (19)	0.0073 (2)	0.0025 (2)
O1	0.0516 (9)	0.0286 (8)	0.0245 (8)	−0.0029 (7)	0.0130 (7)	−0.0031 (6)
O2	0.0423 (8)	0.0288 (8)	0.0358 (9)	−0.0019 (6)	0.0148 (7)	−0.0030 (7)
O3	0.0281 (7)	0.0505 (10)	0.0378 (9)	0.0058 (7)	0.0143 (7)	0.0074 (8)
O4	0.0269 (7)	0.0415 (9)	0.0307 (9)	0.0042 (6)	0.0061 (6)	−0.0021 (7)
O5	0.0299 (12)	0.0513 (16)	0.0538 (19)	0.0044 (10)	0.0098 (11)	−0.0087 (14)
O6	0.0282 (18)	0.035 (2)	0.0298 (16)	0.0027 (13)	0.0022 (13)	0.0038 (13)
O7	0.0663 (19)	0.0372 (15)	0.0227 (13)	−0.0174 (14)	0.0108 (12)	0.0007 (11)
O8	0.044 (2)	0.0272 (14)	0.028 (2)	−0.0040 (15)	0.0069 (14)	0.0019 (13)
O5B	0.021 (2)	0.022 (3)	0.035 (4)	0.000 (2)	0.009 (2)	0.000 (2)
O6B	0.037 (6)	0.039 (6)	0.023 (4)	0.003 (4)	0.001 (4)	0.005 (3)
O7B	0.019 (3)	0.041 (4)	0.023 (3)	0.006 (2)	0.008 (2)	−0.002 (3)
O8B	0.042 (6)	0.030 (4)	0.032 (7)	−0.003 (4)	0.001 (4)	0.008 (4)
C10	0.127 (15)	0.070 (12)	0.16 (2)	0.020 (10)	0.040 (13)	−0.037 (12)
C11	0.092 (12)	0.070 (8)	0.085 (13)	−0.036 (7)	0.047 (10)	−0.043 (8)
C12	0.077 (9)	0.051 (8)	0.038 (7)	−0.007 (6)	0.019 (6)	−0.005 (5)
C13	0.056 (4)	0.055 (4)	0.029 (4)	−0.024 (3)	0.013 (3)	−0.015 (3)
N1	0.031 (3)	0.038 (4)	0.029 (3)	−0.006 (2)	0.000 (2)	0.004 (3)
C14	0.049 (3)	0.045 (4)	0.041 (4)	−0.002 (3)	0.009 (3)	0.000 (3)
C15	0.041 (3)	0.047 (6)	0.061 (8)	−0.014 (4)	0.008 (5)	−0.015 (5)
C16	0.073 (5)	0.081 (6)	0.093 (8)	0.008 (4)	0.028 (6)	0.006 (6)
C17	0.082 (5)	0.047 (5)	0.142 (10)	−0.001 (3)	0.031 (5)	0.006 (5)
C10B	0.069 (8)	0.092 (15)	0.108 (15)	−0.037 (9)	0.029 (8)	−0.039 (11)
C11B	0.095 (13)	0.053 (7)	0.061 (10)	−0.010 (7)	−0.001 (7)	−0.004 (7)
C12B	0.053 (7)	0.058 (9)	0.041 (7)	−0.027 (6)	0.020 (5)	−0.024 (5)
C13B	0.062 (5)	0.058 (5)	0.044 (5)	−0.023 (4)	0.013 (3)	−0.006 (4)
N1B	0.038 (4)	0.041 (4)	0.031 (4)	−0.005 (3)	0.013 (3)	0.006 (3)
C14B	0.035 (3)	0.049 (5)	0.038 (4)	0.004 (3)	0.001 (3)	0.004 (4)
C15B	0.044 (4)	0.039 (5)	0.047 (6)	−0.002 (4)	0.005 (4)	−0.008 (4)
C16B	0.044 (4)	0.065 (7)	0.095 (8)	0.006 (3)	0.019 (5)	0.014 (6)
C17B	0.134 (9)	0.063 (6)	0.104 (8)	0.016 (5)	0.020 (6)	0.020 (6)

Sn1—C1	2.117 (5)	C8B—H8F	0.9800
Sn1—C2	2.119 (5)	C9B—H9D	0.9800
Sn1—C3	2.110 (4)	C9B—H9E	0.9800
Sn1—O1	2.2829 (17)	C9B—H9F	0.9800
Sn1—O7	2.305 (2)	S1—O3	1.4513 (15)
Sn1B—C1B	2.088 (13)	S1—O1	1.4714 (15)
Sn1B—C2B	2.111 (13)	S1—O2	1.4803 (15)
Sn1B—C3B	2.126 (13)	S1—O4	1.4866 (15)
Sn1B—O1	2.317 (3)	S2—O6B	1.370 (11)
Sn1B—O7B	2.260 (6)	S2—O7	1.455 (2)
Sn2—C4	2.117 (5)	S2—O8	1.468 (5)
Sn2—C5	2.107 (5)	S2—O5	1.470 (2)
Sn2—C6	2.124 (5)	S2—O6	1.489 (4)
Sn2—O2i	2.2906 (19)	S2—O8B	1.496 (13)
Sn2—O8	2.274 (6)	S2—O7B	1.510 (5)
Sn2B—C4B	2.100 (14)	S2—O5B	1.522 (5)
Sn2B—C5B	2.120 (14)	O2—Sn2Biii	2.200 (4)
Sn2B—C6B	2.128 (14)	O2—Sn2iii	2.2906 (19)
Sn2B—O2i	2.200 (4)	O4—Sn3ii	2.262 (2)
Sn2B—O8B	2.243 (15)	O4—Sn3Bii	2.285 (4)
Sn3—C7	2.106 (5)	C10—C11	1.502 (12)
Sn3—C8	2.115 (5)	C10—H10A	0.9800
Sn3—C9	2.117 (5)	C10—H10B	0.9800
Sn3—O4ii	2.262 (2)	C10—H10C	0.9800
Sn3—O5	2.277 (3)	C11—C12	1.506 (11)
Sn3B—C7B	2.119 (13)	C11—H11A	0.9900
Sn3B—C8B	2.074 (13)	C11—H11B	0.9900
Sn3B—C9B	2.125 (13)	C12—C13	1.487 (11)
Sn3B—O4ii	2.285 (4)	C12—H12A	0.9900
Sn3B—O5B	2.274 (6)	C12—H12B	0.9900
C1—H1A	0.9800	C13—N1	1.491 (10)
C1—H1B	0.9800	C13—H13A	0.9900
C1—H1C	0.9800	C13—H13B	0.9900
C2—H2A	0.9800	N1—C14	1.486 (10)
C2—H2B	0.9800	N1—H1G	0.9206
C2—H2C	0.9800	N1—H1H	0.9195
C3—H3A	0.9800	N1—H1I	0.8986
C3—H3B	0.9800	N1—H1J	1.0317
C3—H3C	0.9800	C14—C15	1.498 (9)
C1B—H1D	0.9800	C14—H14A	0.9900
C1B—H1E	0.9800	C14—H14B	0.9900
C1B—H1F	0.9800	C15—C16	1.533 (10)
C2B—H2D	0.9800	C15—H15A	0.9900
C2B—H2E	0.9800	C15—H15B	0.9900
C2B—H2F	0.9800	C16—C17	1.496 (11)
C3B—H3D	0.9800	C16—H16A	0.9900
C3B—H3E	0.9800	C16—H16B	0.9900
C3B—H3F	0.9800	C17—H17A	0.9800
C4—H4A	0.9800	C17—H17B	0.9800
C4—H4B	0.9800	C17—H17C	0.9800
C4—H4C	0.9800	C10B—C11B	1.501 (13)
C5—H5A	0.9800	C10B—H10D	0.9800
C5—H5B	0.9800	C10B—H10E	0.9800
C5—H5C	0.9800	C10B—H10F	0.9800
C6—H6A	0.9800	C11B—C12B	1.511 (13)
C6—H6B	0.9800	C11B—H11C	0.9900
C6—H6C	0.9800	C11B—H11D	0.9900
C4B—H4D	0.9800	C12B—C13B	1.535 (12)
C4B—H4E	0.9800	C12B—H12C	0.9900
C4B—H4F	0.9800	C12B—H12D	0.9900
C5B—H5D	0.9800	C13B—N1B	1.502 (11)
C5B—H5E	0.9800	C13B—H13C	0.9900
C5B—H5F	0.9800	C13B—H13D	0.9900
C6B—H6D	0.9800	N1B—C14B	1.475 (10)
C6B—H6E	0.9800	N1B—H1G	1.0296
C6B—H6F	0.9800	N1B—H1H	0.8937
C7—H7A	0.9800	N1B—H1I	0.9207
C7—H7B	0.9800	N1B—H1J	0.9195
C7—H7C	0.9800	C14B—C15B	1.507 (10)
C8—H8A	0.9800	C14B—H14C	0.9900
C8—H8B	0.9800	C14B—H14D	0.9900
C8—H8C	0.9800	C15B—C16B	1.542 (10)
C9—H9A	0.9800	C15B—H15C	0.9900
C9—H9B	0.9800	C15B—H15D	0.9900
C9—H9C	0.9800	C16B—C17B	1.477 (11)
C7B—H7D	0.9800	C16B—H16C	0.9900
C7B—H7E	0.9800	C16B—H16D	0.9900
C7B—H7F	0.9800	C17B—H17D	0.9800
C8B—H8D	0.9800	C17B—H17E	0.9800
C8B—H8E	0.9800	C17B—H17F	0.9800
C3—Sn1—C1	123.6 (4)	O7—S2—O8	110.2 (2)
C3—Sn1—C2	118.7 (3)	O7—S2—O5	110.70 (17)
C1—Sn1—C2	117.7 (3)	O8—S2—O5	110.19 (18)
C3—Sn1—O1	87.6 (3)	O7—S2—O6	108.9 (2)
C1—Sn1—O1	93.3 (3)	O8—S2—O6	110.0 (3)
C2—Sn1—O1	90.1 (3)	O5—S2—O6	106.81 (17)
C3—Sn1—O7	84.9 (3)	O6B—S2—O8B	115.5 (8)
C1—Sn1—O7	91.7 (3)	O6B—S2—O7B	111.7 (5)
C2—Sn1—O7	92.6 (3)	O8B—S2—O7B	107.9 (5)
O1—Sn1—O7	172.44 (8)	O6B—S2—O5B	112.7 (4)
C1B—Sn1B—C2B	120.5 (10)	O8B—S2—O5B	103.8 (6)
C1B—Sn1B—C3B	124.0 (11)	O7B—S2—O5B	104.4 (3)
C2B—Sn1B—C3B	115.4 (9)	S1—O1—Sn1	135.22 (9)
C1B—Sn1B—O7B	84.5 (10)	S1—O1—Sn1B	127.57 (10)
C2B—Sn1B—O7B	95.1 (9)	S1—O2—Sn2Biii	137.17 (12)
C3B—Sn1B—O7B	94.1 (9)	S1—O2—Sn2iii	130.78 (9)
C1B—Sn1B—O1	92.9 (10)	S1—O4—Sn3ii	135.28 (10)
C2B—Sn1B—O1	91.7 (9)	S1—O4—Sn3Bii	126.92 (12)
C3B—Sn1B—O1	82.0 (9)	S2—O5—Sn3	141.14 (17)
O7B—Sn1B—O1	173.07 (18)	S2—O7—Sn1	135.08 (14)
Sn1B—C1B—H1D	109.5	S2—O8—Sn2	130.8 (3)
Sn1B—C1B—H1E	109.5	S2—O5B—Sn3B	139.4 (3)
H1D—C1B—H1E	109.5	S2—O7B—Sn1B	132.8 (3)
Sn1B—C1B—H1F	109.5	S2—O8B—Sn2B	135.0 (9)
H1D—C1B—H1F	109.5	C10—C11—C12	111.4 (13)
H1E—C1B—H1F	109.5	C10—C11—H11A	109.4
Sn1B—C2B—H2D	109.5	C12—C11—H11A	109.4
Sn1B—C2B—H2E	109.5	C10—C11—H11B	109.4
H2D—C2B—H2E	109.5	C12—C11—H11B	109.4
Sn1B—C2B—H2F	109.5	H11A—C11—H11B	108.0
H2D—C2B—H2F	109.5	C13—C12—C11	113.2 (12)
H2E—C2B—H2F	109.5	C13—C12—H12A	108.9
Sn1B—C3B—H3D	109.5	C11—C12—H12A	108.9
Sn1B—C3B—H3E	109.5	C13—C12—H12B	108.9
H3D—C3B—H3E	109.5	C11—C12—H12B	108.9
Sn1B—C3B—H3F	109.5	H12A—C12—H12B	107.7
H3D—C3B—H3F	109.5	C12—C13—N1	109.4 (9)
H3E—C3B—H3F	109.5	C12—C13—H13A	109.8
C5—Sn2—C4	120.6 (4)	N1—C13—H13A	109.8
C5—Sn2—C6	119.1 (4)	C12—C13—H13B	109.8
C4—Sn2—C6	120.3 (4)	N1—C13—H13B	109.8
C5—Sn2—O8	89.4 (5)	H13A—C13—H13B	108.2
C4—Sn2—O8	93.6 (4)	C14—N1—C13	107.9 (8)
C6—Sn2—O8	86.3 (5)	C14—N1—H1G	112.0
C5—Sn2—O2i	93.6 (5)	C13—N1—H1G	108.5
C4—Sn2—O2i	83.5 (4)	C14—N1—H1H	109.7
C6—Sn2—O2i	93.6 (5)	C13—N1—H1H	111.0
O8—Sn2—O2i	176.59 (11)	H1G—N1—H1H	107.8
C4B—Sn2B—C5B	121.5 (12)	N1—C14—C15	112.7 (8)
C4B—Sn2B—C6B	121.1 (12)	N1—C14—H14A	109.0
C5B—Sn2B—C6B	117.3 (12)	C15—C14—H14A	109.0
C4B—Sn2B—O2i	92.1 (12)	N1—C14—H14B	109.0
C5B—Sn2B—O2i	89.1 (14)	C15—C14—H14B	109.0
C6B—Sn2B—O2i	90.8 (14)	H14A—C14—H14B	107.8
C4B—Sn2B—O8B	85.4 (13)	C14—C15—C16	113.1 (8)
C5B—Sn2B—O8B	96.0 (14)	C14—C15—H15A	109.0
C6B—Sn2B—O8B	86.7 (15)	C16—C15—H15A	109.0
O2i—Sn2B—O8B	174.8 (4)	C14—C15—H15B	109.0
Sn2B—C4B—H4D	109.5	C16—C15—H15B	109.0
Sn2B—C4B—H4E	109.5	H15A—C15—H15B	107.8
H4D—C4B—H4E	109.5	C17—C16—C15	114.1 (9)
Sn2B—C4B—H4F	109.5	C17—C16—H16A	108.7
H4D—C4B—H4F	109.5	C15—C16—H16A	108.7
H4E—C4B—H4F	109.5	C17—C16—H16B	108.7
Sn2B—C5B—H5D	109.5	C15—C16—H16B	108.7
Sn2B—C5B—H5E	109.5	H16A—C16—H16B	107.6
H5D—C5B—H5E	109.5	C11B—C10B—H10D	109.5
Sn2B—C5B—H5F	109.5	C11B—C10B—H10E	109.5
H5D—C5B—H5F	109.5	H10D—C10B—H10E	109.5
H5E—C5B—H5F	109.5	C11B—C10B—H10F	109.5
Sn2B—C6B—H6D	109.5	H10D—C10B—H10F	109.5
Sn2B—C6B—H6E	109.5	H10E—C10B—H10F	109.5
H6D—C6B—H6E	109.5	C10B—C11B—C12B	114.3 (13)
Sn2B—C6B—H6F	109.5	C10B—C11B—H11C	108.7
H6D—C6B—H6F	109.5	C12B—C11B—H11C	108.7
H6E—C6B—H6F	109.5	C10B—C11B—H11D	108.7
C7—Sn3—C8	115.2 (4)	C12B—C11B—H11D	108.7
C7—Sn3—C9	120.4 (3)	H11C—C11B—H11D	107.6
C8—Sn3—C9	124.4 (3)	C11B—C12B—C13B	111.6 (13)
C7—Sn3—O4ii	85.7 (2)	C11B—C12B—H12C	109.3
C8—Sn3—O4ii	94.8 (2)	C13B—C12B—H12C	109.3
C9—Sn3—O4ii	90.7 (3)	C11B—C12B—H12D	109.3
C7—Sn3—O5	82.9 (2)	C13B—C12B—H12D	109.3
C8—Sn3—O5	90.4 (2)	H12C—C12B—H12D	108.0
C9—Sn3—O5	94.7 (3)	N1B—C13B—C12B	115.6 (11)
O4ii—Sn3—O5	168.64 (10)	N1B—C13B—H13C	108.4
C8B—Sn3B—C7B	116.0 (11)	C12B—C13B—H13C	108.4
C8B—Sn3B—C9B	127.8 (10)	N1B—C13B—H13D	108.4
C7B—Sn3B—C9B	116.1 (9)	C12B—C13B—H13D	108.4
C8B—Sn3B—O5B	83.2 (8)	H13C—C13B—H13D	107.4
C7B—Sn3B—O5B	90.6 (6)	C14B—N1B—C13B	120.3 (10)
C9B—Sn3B—O5B	93.7 (8)	C14B—N1B—H1I	105.4
C8B—Sn3B—O4ii	96.2 (8)	C13B—N1B—H1I	109.0
C7B—Sn3B—O4ii	85.9 (6)	C14B—N1B—H1J	107.5
C9B—Sn3B—O4ii	90.0 (8)	C13B—N1B—H1J	106.3
O5B—Sn3B—O4ii	175.8 (2)	H1I—N1B—H1J	107.8
Sn3B—C7B—H7D	109.5	N1B—C14B—C15B	112.0 (9)
Sn3B—C7B—H7E	109.5	N1B—C14B—H14C	109.2
H7D—C7B—H7E	109.5	C15B—C14B—H14C	109.2
Sn3B—C7B—H7F	109.5	N1B—C14B—H14D	109.2
H7D—C7B—H7F	109.5	C15B—C14B—H14D	109.2
H7E—C7B—H7F	109.5	H14C—C14B—H14D	107.9
Sn3B—C8B—H8D	109.5	C14B—C15B—C16B	108.9 (9)
Sn3B—C8B—H8E	109.5	C14B—C15B—H15C	109.9
H8D—C8B—H8E	109.5	C16B—C15B—H15C	109.9
Sn3B—C8B—H8F	109.5	C14B—C15B—H15D	109.9
H8D—C8B—H8F	109.5	C16B—C15B—H15D	109.9
H8E—C8B—H8F	109.5	H15C—C15B—H15D	108.3
Sn3B—C9B—H9D	109.5	C17B—C16B—C15B	114.5 (10)
Sn3B—C9B—H9E	109.5	C17B—C16B—H16C	108.6
H9D—C9B—H9E	109.5	C15B—C16B—H16C	108.6
Sn3B—C9B—H9F	109.5	C17B—C16B—H16D	108.6
H9D—C9B—H9F	109.5	C15B—C16B—H16D	108.6
H9E—C9B—H9F	109.5	H16C—C16B—H16D	107.6
O3—S1—O1	111.15 (10)	C16B—C17B—H17D	109.5
O3—S1—O2	110.76 (9)	C16B—C17B—H17E	109.5
O1—S1—O2	107.90 (9)	H17D—C17B—H17E	109.5
O3—S1—O4	108.77 (9)	C16B—C17B—H17F	109.5
O1—S1—O4	108.76 (9)	H17D—C17B—H17F	109.5
O2—S1—O4	109.45 (9)	H17E—C17B—H17F	109.5
O3—S1—O1—Sn1	106.91 (14)	O7—S2—O8—Sn2	−153.4 (3)
O2—S1—O1—Sn1	−14.72 (16)	O5—S2—O8—Sn2	84.2 (4)
O4—S1—O1—Sn1	−133.36 (13)	O6—S2—O8—Sn2	−33.3 (4)
O3—S1—O1—Sn1B	103.90 (14)	O8B—S2—O8—Sn2	63 (2)
O2—S1—O1—Sn1B	−17.73 (16)	O7B—S2—O8—Sn2	−127.2 (4)
O4—S1—O1—Sn1B	−136.37 (13)	O5B—S2—O8—Sn2	128.2 (4)
C3—Sn1—O1—S1	−173.5 (3)	C5—Sn2—O8—S2	72.3 (5)
C1—Sn1—O1—S1	−49.9 (3)	C4—Sn2—O8—S2	−48.3 (5)
C2—Sn1—O1—S1	67.8 (2)	C6—Sn2—O8—S2	−168.5 (5)
C3—Sn1—O1—Sn1B	−156.0 (6)	O6B—S2—O5B—Sn3B	95.0 (7)
C1—Sn1—O1—Sn1B	−32.5 (6)	O7—S2—O5B—Sn3B	−154.8 (6)
C2—Sn1—O1—Sn1B	85.3 (6)	O8—S2—O5B—Sn3B	−50.1 (6)
C1B—Sn1B—O1—S1	−52.2 (9)	O5—S2—O5B—Sn3B	43.9 (4)
C2B—Sn1B—O1—S1	68.5 (6)	O6—S2—O5B—Sn3B	106.0 (5)
C3B—Sn1B—O1—S1	−176.1 (8)	O8B—S2—O5B—Sn3B	−30.6 (7)
C1B—Sn1B—O1—Sn1	143.3 (10)	O7B—S2—O5B—Sn3B	−143.5 (5)
C2B—Sn1B—O1—Sn1	−96.1 (8)	C8B—Sn3B—O5B—S2	177.8 (10)
C3B—Sn1B—O1—Sn1	19.3 (9)	C7B—Sn3B—O5B—S2	−66.1 (10)
O3—S1—O2—Sn2Biii	46.6 (2)	C9B—Sn3B—O5B—S2	50.2 (8)
O1—S1—O2—Sn2Biii	168.50 (19)	O6B—S2—O7B—Sn1B	164.8 (7)
O4—S1—O2—Sn2Biii	−73.3 (2)	O7—S2—O7B—Sn1B	62.0 (5)
O3—S1—O2—Sn2iii	44.60 (15)	O8—S2—O7B—Sn1B	−70.9 (5)
O1—S1—O2—Sn2iii	166.47 (11)	O5—S2—O7B—Sn1B	51.2 (8)
O4—S1—O2—Sn2iii	−75.33 (13)	O6—S2—O7B—Sn1B	179.2 (5)
O3—S1—O4—Sn3ii	165.74 (13)	O8B—S2—O7B—Sn1B	−67.2 (8)
O1—S1—O4—Sn3ii	44.55 (16)	O5B—S2—O7B—Sn1B	42.8 (6)
O2—S1—O4—Sn3ii	−73.12 (15)	C1B—Sn1B—O7B—S2	148.8 (10)
O3—S1—O4—Sn3Bii	171.41 (16)	C2B—Sn1B—O7B—S2	28.6 (8)
O1—S1—O4—Sn3Bii	50.21 (18)	C3B—Sn1B—O7B—S2	−87.4 (10)
O2—S1—O4—Sn3Bii	−67.45 (17)	O6B—S2—O8B—Sn2B	27.1 (11)
O6B—S2—O5—Sn3	178.2 (6)	O7—S2—O8B—Sn2B	−131.5 (7)
O7—S2—O5—Sn3	−67.0 (3)	O8—S2—O8B—Sn2B	−88 (2)
O8—S2—O5—Sn3	55.3 (4)	O5—S2—O8B—Sn2B	111.9 (8)
O6—S2—O5—Sn3	174.7 (3)	O6—S2—O8B—Sn2B	3.6 (10)
O8B—S2—O5—Sn3	62.7 (6)	O7B—S2—O8B—Sn2B	−98.7 (9)
O7B—S2—O5—Sn3	−60.5 (5)	O5B—S2—O8B—Sn2B	151.0 (8)
O5B—S2—O5—Sn3	−47.9 (3)	C4B—Sn2B—O8B—S2	−82.5 (13)
C7—Sn3—O5—S2	−166.7 (4)	C5B—Sn2B—O8B—S2	38.8 (13)
C8—Sn3—O5—S2	78.0 (4)	C6B—Sn2B—O8B—S2	155.9 (13)
C9—Sn3—O5—S2	−46.6 (3)	C10—C11—C12—C13	−179 (2)
O4ii—Sn3—O5—S2	−164.7 (4)	C11—C12—C13—N1	174.2 (18)
O6B—S2—O7—Sn1	−153.6 (5)	C12—C13—N1—C14	166.7 (16)
O8—S2—O7—Sn1	−10.0 (4)	C13—N1—C14—C15	−179.4 (13)
O5—S2—O7—Sn1	112.2 (3)	N1—C14—C15—C16	172.4 (13)
O6—S2—O7—Sn1	−130.7 (3)	C14—C15—C16—C17	−179.6 (11)
O8B—S2—O7—Sn1	5.2 (7)	C10B—C11B—C12B—C13B	178 (2)
O7B—S2—O7—Sn1	−61.2 (4)	C11B—C12B—C13B—N1B	−178 (2)
O5B—S2—O7—Sn1	99.2 (3)	C12B—C13B—N1B—C14B	−178.6 (18)
C3—Sn1—O7—S2	−156.8 (4)	C13B—N1B—C14B—C15B	176.8 (16)
C1—Sn1—O7—S2	79.6 (4)	N1B—C14B—C15B—C16B	−176.8 (13)
C2—Sn1—O7—S2	−38.2 (3)	C14B—C15B—C16B—C17B	−71.4 (16)
O6B—S2—O8—Sn2	−13.0 (6)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1H···O6	0.92	1.88	2.785 (16)	168
N1B—H1J···O6B	0.92	2.11	2.98 (2)	159

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1H⋯O6	0.92	1.88	2.785 (16)	168
N1B—H1J⋯O6B	0.92	2.11	2.98 (2)	159