Tetra-n-butyl-ammonium iodido(pyrrolidine-1-carbodithio-ato-κS,S')(tris-tert-butoxy-silanethiol-ato-κS)cadmate(II).

In the anion of the title compound, (C(16)H(36)N)[Cd(C(5)H(8)NS(2))(C(12)H(27)O(3)SSi)I], the Cd atom is four-coordinated by S,S'-chelating dithio-carbamate, S-donating silanethiol-ate and iodide ligands in a distorted tetrahedral environment . Inter-molecular C-H⋯ S and C-H⋯I inter-actions between cations and anions are present. Two C atoms of a tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35.

Related literature

For related literature, see: Allen (2002 ▶); Battaglia & Corradi (1986 ▶); Clemente et al. (1987 ▶); Kropidłowska et al. (2006a ▶,b ▶); Kropidłowska, Chojnacki et al. (2008 ▶); Kropidłowska, Rotaru et al. (2008 ▶); Wojnowski et al. (1992 ▶).

Experimental

Crystal data

(C16H36N)[Cd(C5H8NS2)(C12H27O3SSi)I]

M = 907.49

Monoclinic,

a = 14.8881 (9) Å

b = 16.3973 (9) Å

c = 18.6471 (11) Å

β = 105.519 (5)°

V = 4386.3 (5) Å3

Z = 4

Mo Kα radiation

μ = 1.40 mm−1

T = 120 (2) K

0.34 × 0.08 × 0.05 mm

Data collection

Oxford Diffraction KM-4-CCD diffractometer

Absorption correction: analytical [CrysAlis RED (Oxford Diffraction, 2006 ▶); analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by Clark & Reid (1995 ▶)] T min = 0.744, T max = 0.943

32652 measured reflections

8628 independent reflections

5398 reflections with I > 2σ(I)

R int = 0.065

Refinement

R[F 2 > 2σ(F 2)] = 0.039

wR(F 2) = 0.088

S = 0.86

8628 reflections

423 parameters

H-atom parameters constrained

Δρmax = 1.01 e Å−3

Δρmin = −0.44 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 ▶); cell refinement: CrysAlis RED (Oxford Diffraction, 2006 ▶); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶) and Mercury (Macrae et al., 2006 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808014888/sg2247sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808014888/sg2247Isup2.hkl

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

(C16H36N)[Cd(C5H8NS2)(C12H27O3SSi)I]	Z = 4
Mr = 907.49	F000 = 1880
Monoclinic, P21/c	Dx = 1.374 Mg m−3
Hall symbol: -P 2ybc	Mo Kα radiation λ = 0.71073 Å
a = 14.8881 (9) Å	θ = 2.5–32.6º
b = 16.3973 (9) Å	µ = 1.40 mm−1
c = 18.6471 (11) Å	T = 120 (2) K
β = 105.519 (5)º	Needle, colourless
V = 4386.3 (5) Å3	0.34 × 0.08 × 0.05 mm

Oxford Diffraction KM-4-CCD diffractometer	8628 independent reflections
Monochromator: graphite	5398 reflections with I > 2σ(I)
Detector resolution: 8.1883 pixels mm-1	Rint = 0.065
T = 120(2) K	θmax = 26º
ω scans	θmin = 2.4º
Absorption correction: analytical[CrysAlis RED (Oxford Diffraction, 2006); analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by Clark & Reid (1995)]	h = −17→18
Tmin = 0.744, Tmax = 0.943	k = −20→19
32652 measured reflections	l = −22→23

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.039	H-atom parameters constrained
wR(F2) = 0.088	w = 1/[σ2(Fo2) + (0.0471P)2] where P = (Fo2 + 2Fc2)/3
S = 0.86	(Δ/σ)max = 0.002
8628 reflections	Δρmax = 1.01 e Å−3
423 parameters	Δρmin = −0.44 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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)
Cd1	0.30998 (2)	0.104413 (19)	0.278712 (17)	0.02783 (9)
N1	0.3153 (2)	0.3675 (2)	0.29473 (19)	0.0284 (9)
O1	0.14159 (19)	−0.11475 (17)	0.31904 (16)	0.0316 (7)
O2	0.1439 (2)	0.01702 (18)	0.23839 (16)	0.0334 (7)
O3	0.0676 (2)	0.01545 (18)	0.35510 (16)	0.0337 (7)
S2	0.22367 (8)	0.23808 (7)	0.22960 (6)	0.0290 (3)
S1	0.28545 (8)	0.02356 (7)	0.38426 (6)	0.0299 (3)
S3	0.41572 (8)	0.23419 (7)	0.33244 (6)	0.0301 (3)
Si1	0.15373 (8)	−0.01594 (8)	0.32351 (7)	0.0288 (3)
I1	0.39336 (2)	0.034354 (18)	0.179160 (17)	0.03680 (10)
C1	0.1167 (3)	−0.1721 (3)	0.3691 (3)	0.0353 (11)
C2	0.1662 (4)	−0.1504 (3)	0.4499 (3)	0.0458 (13)
H2A	0.2331	−0.1442	0.4553	0.069*
H2B	0.1561	−0.194	0.4828	0.069*
H2C	0.1409	−0.0991	0.4633	0.069*
C3	0.1497 (4)	−0.2547 (3)	0.3498 (3)	0.0466 (13)
H3A	0.1195	−0.2673	0.2975	0.07*
H3B	0.1334	−0.2966	0.3817	0.07*
H3C	0.2175	−0.2536	0.3577	0.07*
C4	0.0115 (3)	−0.1730 (3)	0.3562 (3)	0.0487 (14)
H4A	−0.0101	−0.1181	0.364	0.073*
H4B	−0.0051	−0.211	0.3911	0.073*
H4C	−0.0181	−0.1905	0.305	0.073*
C5	0.0752 (3)	−0.0009 (3)	0.1681 (3)	0.0376 (12)
C6	−0.0197 (4)	−0.0133 (5)	0.1797 (3)	0.074 (2)
H6A	−0.0206	−0.0645	0.2067	0.111*
H6B	−0.0661	−0.016	0.1313	0.111*
H6C	−0.0344	0.0322	0.2086	0.111*
C7	0.1083 (4)	−0.0747 (4)	0.1348 (3)	0.0630 (17)
H7A	0.1736	−0.0672	0.1349	0.094*
H7B	0.0701	−0.0821	0.0836	0.094*
H7C	0.1027	−0.123	0.1643	0.094*
C8	0.0763 (5)	0.0739 (4)	0.1197 (3)	0.076 (2)
H8A	0.0558	0.1218	0.1424	0.114*
H8B	0.0341	0.065	0.0701	0.114*
H8C	0.1397	0.083	0.1153	0.114*
C9	0.0421 (3)	0.0913 (3)	0.3841 (2)	0.0337 (11)
C10	0.0733 (4)	0.1643 (3)	0.3458 (3)	0.0437 (13)
H10A	0.1415	0.1655	0.3579	0.066*
H10B	0.0508	0.2148	0.3632	0.066*
H10C	0.0476	0.1596	0.2918	0.066*
C11	0.0879 (3)	0.0931 (3)	0.4676 (2)	0.0427 (13)
H11A	0.0657	0.0468	0.4914	0.064*
H11B	0.0718	0.1442	0.4885	0.064*
H11C	0.1558	0.0896	0.4766	0.064*
C12	−0.0637 (3)	0.0905 (3)	0.3688 (3)	0.0479 (14)
H12A	−0.0922	0.0938	0.315	0.072*
H12B	−0.0837	0.1373	0.3933	0.072*
H12C	−0.0834	0.0399	0.3881	0.072*
C13	0.3184 (3)	0.2873 (3)	0.2869 (2)	0.0261 (10)
C14	0.2327 (3)	0.4177 (3)	0.2626 (3)	0.0347 (11)
H14A	0.1761	0.3929	0.2715	0.042*
H14B	0.2232	0.4247	0.2083	0.042*
C15	0.2549 (3)	0.4988 (3)	0.3030 (3)	0.0487 (14)
H15A	0.2252	0.5446	0.2707	0.058*
H15B	0.2336	0.4994	0.3489	0.058*
C16	0.3595 (3)	0.5039 (3)	0.3208 (3)	0.0474 (14)
H16A	0.3845	0.5408	0.3635	0.057*
H16B	0.3795	0.5239	0.2774	0.057*
C17	0.3925 (3)	0.4161 (3)	0.3402 (3)	0.0349 (11)
H17A	0.4512	0.405	0.3266	0.042*
H17B	0.4021	0.4049	0.3939	0.042*
N2	0.4647 (2)	0.19938 (19)	0.59242 (18)	0.0249 (8)
C18	0.4401 (3)	0.1098 (2)	0.5800 (2)	0.0289 (10)
H18A	0.4986	0.078	0.5892	0.035*
H18B	0.4057	0.1019	0.5272	0.035*
C19	0.3819 (3)	0.0751 (3)	0.6284 (3)	0.0341 (11)
H19A	0.3298	0.1127	0.6281	0.041*
H19B	0.4208	0.0699	0.6803	0.041*
C20	0.3430 (3)	−0.0091 (3)	0.5992 (3)	0.0338 (11)
H20A	0.3051	−0.0302	0.6314	0.041*
H20B	0.3011	−0.0024	0.5484	0.041*
C21	0.4168 (3)	−0.0712 (3)	0.5966 (3)	0.0421 (12)
H21A	0.4612	−0.0755	0.6458	0.063*
H21B	0.4497	−0.0542	0.5601	0.063*
H21C	0.3873	−0.1244	0.5822	0.063*
C22	0.5240 (3)	0.2197 (2)	0.5404 (2)	0.0277 (10)
H22A	0.5757	0.1798	0.549	0.033*
H22B	0.4855	0.2121	0.4886	0.033*
C23	0.5655 (3)	0.3042 (3)	0.5468 (2)	0.0332 (11)
H23A	0.6056	0.3128	0.5979	0.04*
H23B	0.5149	0.3452	0.5373	0.04*
C24	0.6231 (3)	0.3158 (3)	0.4912 (2)	0.0357 (11)
H24A	0.669	0.2708	0.4973	0.043*
H24B	0.5814	0.3123	0.4401	0.043*
C25	0.6744 (4)	0.3961 (3)	0.4999 (3)	0.0544 (15)
H25A	0.7205	0.3977	0.5485	0.082*
H25B	0.6299	0.4409	0.4965	0.082*
H25C	0.706	0.4018	0.4604	0.082*
C26	0.5175 (3)	0.2158 (3)	0.6728 (2)	0.0271 (10)
H26A	0.4772	0.1998	0.7049	0.033*
H26B	0.5284	0.2752	0.6789	0.033*
C27	0.6106 (3)	0.1726 (3)	0.7009 (2)	0.0327 (11)
H27A	0.6519	0.1873	0.6693	0.039*
H27B	0.6008	0.1128	0.6977	0.039*
C28	0.6570 (4)	0.1966 (3)	0.7818 (3)	0.0413 (12)
H28A	0.6127	0.1862	0.8119	0.05*
H28B	0.712	0.1612	0.8012	0.05*
C29	0.6878 (4)	0.2841 (3)	0.7919 (3)	0.0500 (14)
H29A	0.6329	0.3197	0.7813	0.075*
H29B	0.7256	0.297	0.7577	0.075*
H29C	0.7249	0.2927	0.8433	0.075*
C30	0.3781 (3)	0.2521 (3)	0.5773 (3)	0.0354 (11)
H30A	0.3468	0.2422	0.6172	0.042*
H30B	0.3976	0.31	0.5806	0.042*
C31	0.3079 (4)	0.2388 (3)	0.5032 (3)	0.0605 (16)
H31A	0.288	0.181	0.4975	0.073*
H31B	0.3351	0.2533	0.4619	0.073*
C32	0.2223 (7)	0.2961 (6)	0.5028 (6)	0.043 (2)	0.646 (11)
H32A	0.1647	0.2731	0.4693	0.052*	0.646 (11)
H32B	0.2137	0.2994	0.5535	0.052*	0.646 (11)
C33	0.2390 (6)	0.3765 (7)	0.4776 (5)	0.057 (3)	0.646 (11)
H33A	0.246	0.3731	0.4269	0.086*	0.646 (11)
H33B	0.2962	0.3989	0.5108	0.086*	0.646 (11)
H33C	0.1863	0.4121	0.4781	0.086*	0.646 (11)
C32A	0.2498 (10)	0.3141 (12)	0.4648 (9)	0.043 (2)	0.354 (11)
H32C	0.2891	0.3632	0.4672	0.052*	0.354 (11)
H32D	0.2163	0.3026	0.4123	0.052*	0.354 (11)
C33A	0.1826 (15)	0.3225 (15)	0.5139 (10)	0.064 (6)	0.354 (11)
H33D	0.1408	0.3688	0.4968	0.097*	0.354 (11)
H33E	0.2184	0.3316	0.5656	0.097*	0.354 (11)
H33F	0.1458	0.2724	0.5109	0.097*	0.354 (11)

	U11	U22	U33	U12	U13	U23
Cd1	0.03032 (19)	0.02514 (18)	0.02964 (18)	−0.00049 (15)	0.01080 (14)	0.00300 (14)
N1	0.027 (2)	0.027 (2)	0.031 (2)	0.0019 (17)	0.0088 (17)	0.0000 (16)
O1	0.0297 (17)	0.0344 (18)	0.0331 (18)	−0.0072 (14)	0.0127 (14)	−0.0026 (14)
O2	0.0301 (17)	0.044 (2)	0.0260 (17)	−0.0020 (15)	0.0079 (14)	0.0019 (14)
O3	0.0327 (18)	0.0352 (19)	0.0368 (18)	−0.0021 (14)	0.0157 (14)	−0.0017 (14)
S2	0.0277 (6)	0.0257 (6)	0.0322 (6)	0.0001 (5)	0.0053 (5)	0.0009 (5)
S1	0.0329 (6)	0.0317 (7)	0.0246 (6)	−0.0063 (5)	0.0067 (5)	0.0031 (5)
S3	0.0291 (6)	0.0280 (6)	0.0304 (6)	−0.0029 (5)	0.0032 (5)	0.0043 (5)
Si1	0.0270 (7)	0.0339 (8)	0.0271 (7)	−0.0037 (6)	0.0098 (5)	0.0004 (5)
I1	0.0454 (2)	0.02957 (17)	0.04242 (19)	0.00608 (15)	0.02381 (15)	0.00383 (14)
C1	0.041 (3)	0.025 (3)	0.044 (3)	−0.005 (2)	0.018 (2)	0.004 (2)
C2	0.056 (3)	0.040 (3)	0.045 (3)	−0.005 (3)	0.019 (3)	0.009 (2)
C3	0.045 (3)	0.040 (3)	0.057 (3)	−0.009 (3)	0.018 (3)	−0.004 (3)
C4	0.039 (3)	0.041 (3)	0.075 (4)	−0.009 (2)	0.029 (3)	0.001 (3)
C5	0.030 (3)	0.049 (3)	0.030 (3)	−0.001 (2)	0.002 (2)	−0.002 (2)
C6	0.034 (3)	0.142 (6)	0.045 (3)	−0.011 (4)	0.007 (3)	−0.019 (4)
C7	0.062 (4)	0.072 (4)	0.048 (4)	0.007 (3)	0.002 (3)	−0.024 (3)
C8	0.084 (5)	0.087 (5)	0.041 (4)	−0.001 (4)	−0.013 (3)	0.015 (3)
C9	0.033 (3)	0.039 (3)	0.035 (3)	0.003 (2)	0.018 (2)	−0.004 (2)
C10	0.056 (3)	0.034 (3)	0.046 (3)	0.006 (3)	0.023 (3)	0.000 (2)
C11	0.048 (3)	0.047 (3)	0.037 (3)	−0.001 (3)	0.019 (2)	0.001 (2)
C12	0.047 (3)	0.052 (3)	0.047 (3)	−0.005 (3)	0.017 (3)	−0.010 (3)
C13	0.030 (2)	0.024 (2)	0.030 (2)	−0.0016 (19)	0.017 (2)	0.0008 (19)
C14	0.034 (3)	0.028 (3)	0.045 (3)	0.001 (2)	0.015 (2)	−0.001 (2)
C15	0.046 (3)	0.036 (3)	0.066 (4)	0.001 (2)	0.018 (3)	−0.007 (3)
C16	0.047 (3)	0.035 (3)	0.065 (4)	−0.002 (2)	0.024 (3)	−0.012 (3)
C17	0.033 (3)	0.034 (3)	0.041 (3)	−0.005 (2)	0.015 (2)	−0.007 (2)
N2	0.030 (2)	0.0176 (19)	0.028 (2)	−0.0002 (15)	0.0099 (16)	−0.0040 (15)
C18	0.036 (3)	0.019 (2)	0.032 (3)	−0.004 (2)	0.011 (2)	−0.0033 (19)
C19	0.041 (3)	0.030 (3)	0.037 (3)	−0.003 (2)	0.021 (2)	−0.002 (2)
C20	0.037 (3)	0.033 (3)	0.032 (3)	−0.003 (2)	0.012 (2)	0.002 (2)
C21	0.047 (3)	0.032 (3)	0.050 (3)	−0.003 (2)	0.017 (3)	−0.004 (2)
C22	0.038 (3)	0.027 (2)	0.020 (2)	−0.002 (2)	0.011 (2)	−0.0016 (18)
C23	0.045 (3)	0.025 (3)	0.029 (3)	−0.004 (2)	0.009 (2)	0.0035 (19)
C24	0.038 (3)	0.038 (3)	0.030 (3)	−0.006 (2)	0.007 (2)	0.004 (2)
C25	0.068 (4)	0.050 (3)	0.048 (3)	−0.022 (3)	0.020 (3)	0.007 (3)
C26	0.037 (3)	0.027 (2)	0.022 (2)	−0.004 (2)	0.015 (2)	−0.0053 (19)
C27	0.044 (3)	0.021 (2)	0.035 (3)	0.001 (2)	0.015 (2)	0.002 (2)
C28	0.046 (3)	0.041 (3)	0.035 (3)	−0.001 (2)	0.006 (2)	−0.002 (2)
C29	0.056 (4)	0.050 (3)	0.040 (3)	−0.006 (3)	0.008 (3)	−0.012 (2)
C30	0.039 (3)	0.025 (3)	0.045 (3)	0.001 (2)	0.015 (2)	−0.007 (2)
C31	0.047 (3)	0.045 (3)	0.078 (4)	0.014 (3)	−0.003 (3)	−0.017 (3)
C32	0.035 (5)	0.057 (6)	0.042 (6)	0.006 (4)	0.018 (4)	−0.008 (4)
C33	0.048 (6)	0.075 (9)	0.045 (5)	−0.002 (5)	0.006 (4)	0.005 (5)
C32A	0.035 (5)	0.057 (6)	0.042 (6)	0.006 (4)	0.018 (4)	−0.008 (4)
C33A	0.061 (14)	0.098 (17)	0.041 (10)	0.006 (12)	0.025 (10)	−0.014 (10)

Cd1—S1	2.4798 (11)	C17—H17A	0.99
Cd1—S2	2.5815 (11)	C17—H17B	0.99
Cd1—S3	2.6770 (11)	N2—C22	1.513 (5)
Cd1—I1	2.7459 (4)	N2—C30	1.516 (5)
N1—C13	1.326 (5)	N2—C18	1.517 (5)
N1—C14	1.467 (5)	N2—C26	1.518 (5)
N1—C17	1.468 (5)	C18—C19	1.518 (6)
O1—C1	1.441 (5)	C18—H18A	0.99
O1—Si1	1.630 (3)	C18—H18B	0.99
O2—C5	1.460 (5)	C19—C20	1.539 (6)
O2—Si1	1.646 (3)	C19—H19A	0.99
O3—C9	1.446 (5)	C19—H19B	0.99
O3—Si1	1.631 (3)	C20—C21	1.509 (6)
S2—C13	1.726 (4)	C20—H20A	0.99
S1—Si1	2.0880 (16)	C20—H20B	0.99
S3—C13	1.709 (4)	C21—H21A	0.98
C1—C3	1.517 (6)	C21—H21B	0.98
C1—C4	1.519 (6)	C21—H21C	0.98
C1—C2	1.532 (6)	C22—C23	1.509 (6)
C2—H2A	0.98	C22—H22A	0.99
C2—H2B	0.98	C22—H22B	0.99
C2—H2C	0.98	C23—C24	1.524 (6)
C3—H3A	0.98	C23—H23A	0.99
C3—H3B	0.98	C23—H23B	0.99
C3—H3C	0.98	C24—C25	1.509 (6)
C4—H4A	0.98	C24—H24A	0.99
C4—H4B	0.98	C24—H24B	0.99
C4—H4C	0.98	C25—H25A	0.98
C5—C6	1.500 (7)	C25—H25B	0.98
C5—C7	1.503 (7)	C25—H25C	0.98
C5—C8	1.526 (7)	C26—C27	1.519 (6)
C6—H6A	0.98	C26—H26A	0.99
C6—H6B	0.98	C26—H26B	0.99
C6—H6C	0.98	C27—C28	1.532 (6)
C7—H7A	0.98	C27—H27A	0.99
C7—H7B	0.98	C27—H27B	0.99
C7—H7C	0.98	C28—C29	1.502 (7)
C8—H8A	0.98	C28—H28A	0.99
C8—H8B	0.98	C28—H28B	0.99
C8—H8C	0.98	C29—H29A	0.98
C9—C12	1.524 (6)	C29—H29B	0.98
C9—C11	1.525 (6)	C29—H29C	0.98
C9—C10	1.529 (6)	C30—C31	1.510 (7)
C10—H10A	0.98	C30—H30A	0.99
C10—H10B	0.98	C30—H30B	0.99
C10—H10C	0.98	C31—C32A	1.566 (18)
C11—H11A	0.98	C31—C32	1.581 (10)
C11—H11B	0.98	C31—H31A	0.99
C11—H11C	0.98	C31—H31B	0.99
C12—H12A	0.98	C32—C33	1.444 (14)
C12—H12B	0.98	C32—H32A	0.99
C12—H12C	0.98	C32—H32B	0.99
C14—C15	1.521 (6)	C33—H33A	0.98
C14—H14A	0.99	C33—H33B	0.98
C14—H14B	0.99	C33—H33C	0.98
C15—C16	1.505 (7)	C32A—C33A	1.53 (2)
C15—H15A	0.99	C32A—H32C	0.99
C15—H15B	0.99	C32A—H32D	0.99
C16—C17	1.533 (6)	C33A—H33D	0.98
C16—H16A	0.99	C33A—H33E	0.98
C16—H16B	0.99	C33A—H33F	0.98
S1—Cd1—S2	124.78 (4)	C16—C17—H17A	111.2
S1—Cd1—S3	108.95 (4)	N1—C17—H17B	111.2
S2—Cd1—S3	69.20 (3)	C16—C17—H17B	111.2
S1—Cd1—I1	120.14 (3)	H17A—C17—H17B	109.1
S2—Cd1—I1	112.80 (3)	C22—N2—C30	111.6 (3)
S3—Cd1—I1	104.99 (3)	C22—N2—C18	105.9 (3)
C13—N1—C14	124.2 (4)	C30—N2—C18	111.4 (3)
C13—N1—C17	123.8 (4)	C22—N2—C26	110.9 (3)
C14—N1—C17	111.9 (3)	C30—N2—C26	105.8 (3)
C1—O1—Si1	131.3 (3)	C18—N2—C26	111.2 (3)
C5—O2—Si1	131.3 (3)	N2—C18—C19	115.2 (3)
C9—O3—Si1	135.8 (3)	N2—C18—H18A	108.5
C13—S2—Cd1	86.03 (14)	C19—C18—H18A	108.5
Si1—S1—Cd1	92.96 (5)	N2—C18—H18B	108.5
C13—S3—Cd1	83.34 (14)	C19—C18—H18B	108.5
O1—Si1—O3	104.18 (15)	H18A—C18—H18B	107.5
O1—Si1—O2	107.28 (16)	C18—C19—C20	110.3 (4)
O3—Si1—O2	111.67 (16)	C18—C19—H19A	109.6
O1—Si1—S1	114.29 (12)	C20—C19—H19A	109.6
O3—Si1—S1	114.92 (12)	C18—C19—H19B	109.6
O2—Si1—S1	104.45 (12)	C20—C19—H19B	109.6
O1—C1—C3	105.9 (4)	H19A—C19—H19B	108.1
O1—C1—C4	109.7 (4)	C21—C20—C19	114.1 (4)
C3—C1—C4	109.8 (4)	C21—C20—H20A	108.7
O1—C1—C2	110.3 (4)	C19—C20—H20A	108.7
C3—C1—C2	109.8 (4)	C21—C20—H20B	108.7
C4—C1—C2	111.2 (4)	C19—C20—H20B	108.7
C1—C2—H2A	109.5	H20A—C20—H20B	107.6
C1—C2—H2B	109.5	C20—C21—H21A	109.5
H2A—C2—H2B	109.5	C20—C21—H21B	109.5
C1—C2—H2C	109.5	H21A—C21—H21B	109.5
H2A—C2—H2C	109.5	C20—C21—H21C	109.5
H2B—C2—H2C	109.5	H21A—C21—H21C	109.5
C1—C3—H3A	109.5	H21B—C21—H21C	109.5
C1—C3—H3B	109.5	C23—C22—N2	116.6 (3)
H3A—C3—H3B	109.5	C23—C22—H22A	108.1
C1—C3—H3C	109.5	N2—C22—H22A	108.1
H3A—C3—H3C	109.5	C23—C22—H22B	108.1
H3B—C3—H3C	109.5	N2—C22—H22B	108.1
C1—C4—H4A	109.5	H22A—C22—H22B	107.3
C1—C4—H4B	109.5	C22—C23—C24	110.7 (4)
H4A—C4—H4B	109.5	C22—C23—H23A	109.5
C1—C4—H4C	109.5	C24—C23—H23A	109.5
H4A—C4—H4C	109.5	C22—C23—H23B	109.5
H4B—C4—H4C	109.5	C24—C23—H23B	109.5
O2—C5—C6	111.1 (4)	H23A—C23—H23B	108.1
O2—C5—C7	107.7 (4)	C25—C24—C23	113.3 (4)
C6—C5—C7	112.0 (5)	C25—C24—H24A	108.9
O2—C5—C8	104.7 (4)	C23—C24—H24A	108.9
C6—C5—C8	110.8 (5)	C25—C24—H24B	108.9
C7—C5—C8	110.2 (5)	C23—C24—H24B	108.9
C5—C6—H6A	109.5	H24A—C24—H24B	107.7
C5—C6—H6B	109.5	C24—C25—H25A	109.5
H6A—C6—H6B	109.5	C24—C25—H25B	109.5
C5—C6—H6C	109.5	H25A—C25—H25B	109.5
H6A—C6—H6C	109.5	C24—C25—H25C	109.5
H6B—C6—H6C	109.5	H25A—C25—H25C	109.5
C5—C7—H7A	109.5	H25B—C25—H25C	109.5
C5—C7—H7B	109.5	N2—C26—C27	116.2 (3)
H7A—C7—H7B	109.5	N2—C26—H26A	108.2
C5—C7—H7C	109.5	C27—C26—H26A	108.2
H7A—C7—H7C	109.5	N2—C26—H26B	108.2
H7B—C7—H7C	109.5	C27—C26—H26B	108.2
C5—C8—H8A	109.5	H26A—C26—H26B	107.4
C5—C8—H8B	109.5	C26—C27—C28	110.5 (4)
H8A—C8—H8B	109.5	C26—C27—H27A	109.6
C5—C8—H8C	109.5	C28—C27—H27A	109.6
H8A—C8—H8C	109.5	C26—C27—H27B	109.6
H8B—C8—H8C	109.5	C28—C27—H27B	109.6
O3—C9—C12	106.5 (4)	H27A—C27—H27B	108.1
O3—C9—C11	108.0 (4)	C29—C28—C27	114.3 (4)
C12—C9—C11	110.4 (4)	C29—C28—H28A	108.7
O3—C9—C10	110.9 (3)	C27—C28—H28A	108.7
C12—C9—C10	110.3 (4)	C29—C28—H28B	108.7
C11—C9—C10	110.6 (4)	C27—C28—H28B	108.7
C9—C10—H10A	109.5	H28A—C28—H28B	107.6
C9—C10—H10B	109.5	C28—C29—H29A	109.5
H10A—C10—H10B	109.5	C28—C29—H29B	109.5
C9—C10—H10C	109.5	H29A—C29—H29B	109.5
H10A—C10—H10C	109.5	C28—C29—H29C	109.5
H10B—C10—H10C	109.5	H29A—C29—H29C	109.5
C9—C11—H11A	109.5	H29B—C29—H29C	109.5
C9—C11—H11B	109.5	C31—C30—N2	115.7 (4)
H11A—C11—H11B	109.5	C31—C30—H30A	108.4
C9—C11—H11C	109.5	N2—C30—H30A	108.4
H11A—C11—H11C	109.5	C31—C30—H30B	108.4
H11B—C11—H11C	109.5	N2—C30—H30B	108.4
C9—C12—H12A	109.5	H30A—C30—H30B	107.4
C9—C12—H12B	109.5	C30—C31—C32A	117.8 (8)
H12A—C12—H12B	109.5	C30—C31—C32	106.1 (5)
C9—C12—H12C	109.5	C30—C31—H31A	110.5
H12A—C12—H12C	109.5	C32A—C31—H31A	126.3
H12B—C12—H12C	109.5	C32—C31—H31A	110.5
N1—C13—S3	120.1 (3)	C30—C31—H31B	110.5
N1—C13—S2	119.0 (3)	C32A—C31—H31B	75.3
S3—C13—S2	120.9 (2)	C32—C31—H31B	110.5
N1—C14—C15	103.9 (4)	H31A—C31—H31B	108.7
N1—C14—H14A	111	C33—C32—C31	109.6 (9)
C15—C14—H14A	111	C33—C32—H32A	109.8
N1—C14—H14B	111	C31—C32—H32A	109.8
C15—C14—H14B	111	C33—C32—H32B	109.8
H14A—C14—H14B	109	C31—C32—H32B	109.8
C16—C15—C14	103.5 (4)	H32A—C32—H32B	108.2
C16—C15—H15A	111.1	C33A—C32A—C31	99.6 (14)
C14—C15—H15A	111.1	C33A—C32A—H32C	111.9
C16—C15—H15B	111.1	C31—C32A—H32C	111.9
C14—C15—H15B	111.1	C33A—C32A—H32D	111.9
H15A—C15—H15B	109	C31—C32A—H32D	111.9
C15—C16—C17	104.4 (4)	H32C—C32A—H32D	109.6
C15—C16—H16A	110.9	C32A—C33A—H33D	109.5
C17—C16—H16A	110.9	C32A—C33A—H33E	109.5
C15—C16—H16B	110.9	H33D—C33A—H33E	109.5
C17—C16—H16B	110.9	C32A—C33A—H33F	109.5
H16A—C16—H16B	108.9	H33D—C33A—H33F	109.5
N1—C17—C16	102.8 (4)	H33E—C33A—H33F	109.5
N1—C17—H17A	111.2
S1—Cd1—S2—C13	94.76 (14)	Cd1—S3—C13—S2	−7.3 (2)
S3—Cd1—S2—C13	−4.40 (14)	Cd1—S2—C13—N1	−173.1 (3)
I1—Cd1—S2—C13	−102.47 (14)	Cd1—S2—C13—S3	7.5 (2)
S2—Cd1—S1—Si1	71.18 (6)	C13—N1—C14—C15	165.6 (4)
S3—Cd1—S1—Si1	148.54 (5)	C17—N1—C14—C15	−11.2 (5)
I1—Cd1—S1—Si1	−90.42 (5)	N1—C14—C15—C16	29.8 (5)
S1—Cd1—S3—C13	−116.52 (14)	C14—C15—C16—C17	−37.3 (5)
S2—Cd1—S3—C13	4.46 (14)	C13—N1—C17—C16	171.6 (4)
I1—Cd1—S3—C13	113.57 (14)	C14—N1—C17—C16	−11.6 (5)
C1—O1—Si1—O3	−40.7 (4)	C15—C16—C17—N1	30.1 (5)
C1—O1—Si1—O2	−159.2 (3)	C22—N2—C18—C19	178.6 (4)
C1—O1—Si1—S1	85.6 (4)	C30—N2—C18—C19	−59.8 (5)
C9—O3—Si1—O1	168.0 (4)	C26—N2—C18—C19	58.0 (5)
C9—O3—Si1—O2	−76.5 (4)	N2—C18—C19—C20	167.2 (4)
C9—O3—Si1—S1	42.2 (4)	C18—C19—C20—C21	58.8 (5)
C5—O2—Si1—O1	47.7 (4)	C30—N2—C22—C23	63.9 (5)
C5—O2—Si1—O3	−65.9 (4)	C18—N2—C22—C23	−174.6 (4)
C5—O2—Si1—S1	169.4 (3)	C26—N2—C22—C23	−53.8 (5)
Cd1—S1—Si1—O1	123.88 (12)	N2—C22—C23—C24	−180.0 (4)
Cd1—S1—Si1—O3	−115.73 (13)	C22—C23—C24—C25	−174.2 (4)
Cd1—S1—Si1—O2	6.96 (13)	C22—N2—C26—C27	−56.0 (4)
Si1—O1—C1—C3	−160.4 (3)	C30—N2—C26—C27	−177.3 (4)
Si1—O1—C1—C4	81.2 (5)	C18—N2—C26—C27	61.6 (4)
Si1—O1—C1—C2	−41.6 (5)	N2—C26—C27—C28	178.3 (4)
Si1—O2—C5—C6	34.7 (6)	C26—C27—C28—C29	−67.5 (5)
Si1—O2—C5—C7	−88.3 (5)	C22—N2—C30—C31	66.4 (5)
Si1—O2—C5—C8	154.3 (4)	C18—N2—C30—C31	−51.9 (5)
Si1—O3—C9—C12	153.6 (3)	C26—N2—C30—C31	−172.9 (4)
Si1—O3—C9—C11	−87.8 (5)	N2—C30—C31—C32A	−147.3 (7)
Si1—O3—C9—C10	33.6 (6)	N2—C30—C31—C32	176.6 (5)
C14—N1—C13—S3	−175.3 (3)	C30—C31—C32—C33	85.9 (8)
C17—N1—C13—S3	1.2 (5)	C32A—C31—C32—C33	−29.8 (12)
C14—N1—C13—S2	5.4 (5)	C30—C31—C32A—C33A	−74.3 (14)
C17—N1—C13—S2	−178.2 (3)	C32—C31—C32A—C33A	4.1 (11)
Cd1—S3—C13—N1	173.3 (3)

D—H···A	D—H	H···A	D···A	D—H···A
C17—H17A···I1i	0.99	3.16	3.830 (4)	126
C30—H30B···I1ii	0.99	3.15	3.960 (4)	139
C31—H31B···S3	0.99	2.99	3.931 (7)	160

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C17—H17A⋯I1i	0.99	3.16	3.830 (4)	126
C30—H30B⋯I1ii	0.99	3.15	3.960 (4)	139
C31—H31B⋯S3	0.99	2.99	3.931 (7)	160

Symmetry codes: (i) ; (ii) .