Diamminebis(tri-tert-butoxy­silanethiolato)cadmium(II) acetonitrile solvate

The title compound, [Cd(C₁₂H₂₇O₃SSi)₂(NH₃)₂]·C₂H₃N, is a mol­ecular heteroleptic cadmium thiol­ate with two ammine ligands and contains a tetra­hedrally coordinated Cd^II ion with an S₂N₂ environment. All ammine H atoms and one of the H atoms of the acetonitrile methyl group participate in the formation of intra- and inter­molecular hydrogen bonds, which link adjacent mol­ecules into infinite chains.

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.036
• wR factor = 0.090
• Data-to-parameter ratio = 22.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.65
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   S1      ..       6.49 su

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

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, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Diamminebis(tri-tert-butoxysilanethiolato)cadmium(II) acetonitrile solvate

Crystal data

[Cd(C12H27O3SSi)2(NH3)2]·C2H3N	Z = 2
Mr = 746.49	F(000) = 792
Triclinic, P1	Dx = 1.25 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.5244 (6) Å	Cell parameters from 6172 reflections
b = 13.0693 (8) Å	θ = 2.8–32.2°
c = 16.8974 (9) Å	µ = 0.75 mm^−1
α = 82.035 (5)°	T = 120 K
β = 75.877 (5)°	Prism, colourless
γ = 77.502 (5)°	0.30 × 0.17 × 0.08 mm
V = 1983.2 (2) Å^3

Data collection

4-axis κ geometry diffractometer	9049 independent reflections
Graphite monochromator	8483 reflections with I > 2σ(I)
Detector resolution: 8.1883 pixels mm^-1	Rint = 0.028
0.75° width ω scans	θmax = 27.5°, θmin = 2.8°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2006)	h = −11→12
Tmin = 0.767, Tmax = 0.89	k = −16→14
16404 measured reflections	l = −21→21

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.090	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0474P)^2 + 2.0571P] where P = (Fo^2 + 2Fc^2)/3
9049 reflections	(Δ/σ)max = 0.001
404 parameters	Δρmax = 1.13 e Å^−3
0 restraints	Δρmin = −0.42 e Å^−3

Special details

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.

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

	x	y	z	Uiso*/Ueq
C13	0.7424 (2)	0.72462 (16)	0.31388 (12)	0.0197 (4)
C14	0.6440 (3)	0.8283 (2)	0.34167 (16)	0.0342 (5)
H14A	0.6411	0.8805	0.2942	0.041*
H14B	0.684	0.8542	0.3816	0.041*
H14C	0.544	0.8165	0.367	0.041*
C15	0.7446 (3)	0.64015 (19)	0.38539 (13)	0.0263 (4)
H15A	0.644	0.6287	0.4094	0.032*
H15B	0.7843	0.6629	0.4269	0.032*
H15C	0.8069	0.5744	0.3659	0.032*
C16	0.8995 (3)	0.7386 (2)	0.27422 (15)	0.0287 (5)
H16A	0.959	0.6712	0.2567	0.034*
H16B	0.9418	0.763	0.3139	0.034*
H16C	0.8987	0.7906	0.2265	0.034*
C17	0.7361 (3)	0.90605 (17)	0.06878 (14)	0.0275 (5)
C18	0.6685 (4)	1.01756 (19)	0.09260 (18)	0.0408 (6)
H18A	0.5608	1.026	0.1072	0.049*
H18B	0.6975	1.0684	0.0463	0.049*
H18C	0.7038	1.0298	0.1397	0.049*
C19	0.6736 (4)	0.8813 (2)	−0.00007 (15)	0.0369 (6)
H19A	0.7198	0.81	−0.0152	0.044*
H19B	0.6941	0.932	−0.0478	0.044*
H19C	0.5668	0.8859	0.0187	0.044*
C20	0.9032 (3)	0.8914 (2)	0.04429 (15)	0.0357 (6)
H20A	0.94	0.913	0.0875	0.043*
H20B	0.932	0.9346	−0.007	0.043*
H20C	0.9454	0.8172	0.0366	0.043*
C21	0.3887 (2)	0.71402 (18)	0.17472 (14)	0.0237 (4)
C22	0.3087 (3)	0.7142 (3)	0.10658 (17)	0.0392 (6)
H22A	0.3372	0.7674	0.0621	0.047*
H22B	0.202	0.7305	0.1284	0.047*
H22C	0.3357	0.6447	0.0856	0.047*
C23	0.3495 (3)	0.8218 (2)	0.20794 (19)	0.0375 (6)
H23A	0.3998	0.8199	0.2524	0.045*
H23B	0.2426	0.8398	0.2289	0.045*
H23C	0.3808	0.8747	0.1639	0.045*
C24	0.3495 (3)	0.6293 (2)	0.24327 (16)	0.0324 (5)
H24A	0.3774	0.5604	0.2213	0.039*
H24B	0.2431	0.6439	0.2665	0.039*
H24C	0.4028	0.6291	0.2861	0.039*
C1	0.8296 (2)	0.31261 (16)	0.48453 (12)	0.0202 (4)
C2	0.9233 (3)	0.38557 (19)	0.49994 (15)	0.0274 (5)
H2A	1.0272	0.3506	0.489	0.033*
H2B	0.8916	0.4024	0.5571	0.033*
H2C	0.9114	0.4506	0.4636	0.033*
C3	0.8538 (3)	0.2079 (2)	0.53671 (15)	0.0343 (5)
H3A	0.7914	0.1624	0.527	0.041*
H3B	0.828	0.2205	0.5948	0.041*
H3C	0.9576	0.1734	0.5219	0.041*
C4	0.6667 (2)	0.3649 (2)	0.50203 (15)	0.0291 (5)
H4A	0.6536	0.4319	0.468	0.035*
H4B	0.6334	0.3778	0.56	0.035*
H4C	0.6086	0.3185	0.4892	0.035*
C5	1.3043 (2)	0.17957 (18)	0.36221 (14)	0.0237 (4)
C6	1.3579 (3)	0.1479 (2)	0.27482 (15)	0.0304 (5)
H6A	1.3141	0.0887	0.2694	0.037*
H6B	1.4656	0.127	0.2624	0.037*
H6C	1.3285	0.2077	0.2366	0.037*
C7	1.3444 (3)	0.0865 (2)	0.42301 (18)	0.0384 (6)
H7A	1.3067	0.1073	0.479	0.046*
H7B	1.4519	0.0645	0.4127	0.046*
H7C	1.3004	0.0279	0.4164	0.046*
C8	1.3678 (3)	0.2734 (2)	0.37265 (18)	0.0337 (5)
H8A	1.3383	0.333	0.3343	0.04*
H8B	1.4756	0.2542	0.3614	0.04*
H8C	1.3303	0.2931	0.4289	0.04*
C9	0.9390 (2)	0.10295 (15)	0.28158 (13)	0.0191 (4)
C10	0.9876 (3)	0.03134 (17)	0.35343 (15)	0.0269 (5)
H10A	1.0956	0.0146	0.3426	0.032*
H10B	0.9491	−0.0338	0.3601	0.032*
H10C	0.9493	0.0674	0.4037	0.032*
C11	0.7711 (3)	0.13185 (18)	0.29765 (17)	0.0292 (5)
H11A	0.7331	0.1658	0.3489	0.035*
H11B	0.7305	0.068	0.3021	0.035*
H11C	0.7419	0.1804	0.2523	0.035*
C12	1.0009 (3)	0.04735 (18)	0.20316 (15)	0.0290 (5)
H12A	0.9652	0.0915	0.1576	0.035*
H12B	0.9682	−0.0202	0.2105	0.035*
H12C	1.1089	0.0351	0.1911	0.035*
N1	0.9212 (3)	0.32371 (16)	0.10642 (13)	0.0263 (4)
N2	0.6781 (2)	0.43509 (17)	0.27328 (12)	0.0230 (4)
O4	0.67523 (15)	0.68598 (11)	0.25800 (8)	0.0170 (3)
O5	0.69517 (17)	0.83859 (11)	0.14218 (9)	0.0204 (3)
O6	0.54436 (16)	0.68672 (12)	0.13814 (9)	0.0201 (3)
O1	0.86602 (15)	0.29152 (11)	0.39908 (8)	0.0173 (3)
O2	1.14493 (16)	0.20778 (12)	0.38346 (9)	0.0198 (3)
O3	0.99705 (15)	0.19933 (11)	0.26647 (9)	0.0169 (3)
Si2	0.69098 (6)	0.71301 (4)	0.15882 (3)	0.01456 (11)
Si1	1.02367 (6)	0.27204 (4)	0.33169 (3)	0.01443 (11)
S2	0.87317 (6)	0.62026 (4)	0.08940 (3)	0.02060 (11)
S1	1.08480 (5)	0.40894 (4)	0.26712 (3)	0.01968 (10)
Cd1	0.894320 (16)	0.459170 (11)	0.184118 (9)	0.01861 (6)
N3	0.5720 (4)	0.3489 (3)	0.12896 (18)	0.0603 (8)
C25	0.4743 (3)	0.3714 (2)	0.09856 (16)	0.0392 (6)
C26	0.3490 (3)	0.4008 (3)	0.05940 (18)	0.0436 (7)
H26A	0.3237	0.4776	0.0505	0.065*
H26B	0.2644	0.3738	0.0947	0.065*
H26C	0.3749	0.3706	0.0066	0.065*
H1B	0.971 (3)	0.331 (2)	0.058 (2)	0.027 (7)*
H2F	0.695 (3)	0.392 (2)	0.3138 (19)	0.026 (7)*
H2E	0.634 (3)	0.493 (3)	0.2886 (19)	0.029 (7)*
H1C	0.961 (4)	0.271 (3)	0.131 (2)	0.035 (8)*
H1A	0.835 (4)	0.317 (3)	0.103 (2)	0.048 (10)*
H2D	0.626 (4)	0.410 (3)	0.248 (2)	0.055 (11)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C13	0.0235 (10)	0.0221 (10)	0.0150 (9)	−0.0051 (8)	−0.0063 (8)	−0.0024 (7)
C14	0.0450 (15)	0.0288 (12)	0.0294 (12)	0.0010 (10)	−0.0117 (11)	−0.0115 (10)
C15	0.0288 (11)	0.0314 (11)	0.0179 (10)	−0.0040 (9)	−0.0074 (8)	0.0012 (8)
C16	0.0292 (11)	0.0378 (13)	0.0249 (11)	−0.0167 (10)	−0.0092 (9)	0.0003 (9)
C17	0.0495 (14)	0.0172 (10)	0.0186 (10)	−0.0139 (9)	−0.0098 (10)	0.0052 (8)
C18	0.070 (2)	0.0170 (11)	0.0393 (14)	−0.0091 (11)	−0.0226 (14)	0.0056 (10)
C19	0.0649 (18)	0.0304 (12)	0.0222 (11)	−0.0190 (12)	−0.0187 (12)	0.0070 (9)
C20	0.0542 (16)	0.0348 (13)	0.0235 (11)	−0.0316 (12)	0.0002 (11)	−0.0005 (10)
C21	0.0179 (10)	0.0298 (11)	0.0220 (10)	−0.0037 (8)	−0.0039 (8)	0.0000 (8)
C22	0.0262 (12)	0.0620 (18)	0.0322 (13)	−0.0100 (12)	−0.0139 (10)	0.0021 (12)
C23	0.0260 (12)	0.0340 (13)	0.0469 (15)	0.0052 (10)	−0.0026 (11)	−0.0113 (11)
C24	0.0230 (11)	0.0384 (13)	0.0301 (12)	−0.0060 (9)	−0.0007 (9)	0.0066 (10)
C1	0.0213 (10)	0.0222 (10)	0.0149 (9)	−0.0025 (8)	−0.0021 (7)	−0.0009 (7)
C2	0.0280 (11)	0.0317 (12)	0.0255 (11)	−0.0068 (9)	−0.0093 (9)	−0.0048 (9)
C3	0.0493 (15)	0.0287 (12)	0.0198 (11)	−0.0066 (11)	−0.0031 (10)	0.0055 (9)
C4	0.0188 (10)	0.0402 (13)	0.0245 (11)	−0.0013 (9)	0.0006 (8)	−0.0065 (9)
C5	0.0134 (9)	0.0311 (11)	0.0256 (11)	0.0001 (8)	−0.0057 (8)	−0.0037 (9)
C6	0.0216 (11)	0.0399 (13)	0.0282 (12)	−0.0023 (9)	−0.0021 (9)	−0.0098 (10)
C7	0.0278 (12)	0.0435 (15)	0.0396 (14)	0.0053 (11)	−0.0148 (11)	0.0051 (12)
C8	0.0198 (10)	0.0409 (14)	0.0443 (15)	−0.0048 (9)	−0.0105 (10)	−0.0131 (11)
C9	0.0234 (10)	0.0139 (9)	0.0213 (10)	−0.0059 (7)	−0.0063 (8)	0.0004 (7)
C10	0.0353 (12)	0.0198 (10)	0.0274 (11)	−0.0088 (9)	−0.0119 (9)	0.0061 (8)
C11	0.0230 (11)	0.0251 (11)	0.0429 (14)	−0.0104 (9)	−0.0098 (10)	−0.0010 (10)
C12	0.0421 (13)	0.0192 (10)	0.0271 (11)	−0.0055 (9)	−0.0093 (10)	−0.0047 (8)
N1	0.0359 (11)	0.0215 (9)	0.0188 (9)	−0.0057 (8)	−0.0017 (8)	−0.0006 (7)
N2	0.0210 (9)	0.0258 (10)	0.0209 (9)	−0.0045 (8)	−0.0031 (7)	0.0004 (8)
O4	0.0205 (7)	0.0180 (6)	0.0135 (6)	−0.0057 (5)	−0.0047 (5)	0.0004 (5)
O5	0.0294 (8)	0.0145 (6)	0.0166 (7)	−0.0057 (6)	−0.0044 (6)	0.0019 (5)
O6	0.0184 (7)	0.0235 (7)	0.0189 (7)	−0.0046 (6)	−0.0036 (6)	−0.0039 (6)
O1	0.0155 (6)	0.0216 (7)	0.0142 (6)	−0.0040 (5)	−0.0017 (5)	−0.0013 (5)
O2	0.0154 (7)	0.0238 (7)	0.0192 (7)	−0.0018 (5)	−0.0049 (5)	0.0004 (6)
O3	0.0194 (7)	0.0153 (6)	0.0164 (7)	−0.0057 (5)	−0.0039 (5)	0.0008 (5)
Si2	0.0168 (2)	0.0135 (2)	0.0131 (2)	−0.00380 (18)	−0.00323 (19)	0.00111 (18)
Si1	0.0129 (2)	0.0156 (2)	0.0145 (2)	−0.00300 (18)	−0.00295 (18)	−0.00010 (18)
S2	0.0215 (2)	0.0185 (2)	0.0164 (2)	−0.00154 (18)	0.00163 (18)	0.00281 (18)
S1	0.0194 (2)	0.0188 (2)	0.0220 (2)	−0.00825 (18)	−0.00500 (19)	0.00233 (18)
Cd1	0.02031 (9)	0.01672 (8)	0.01724 (8)	−0.00376 (5)	−0.00232 (6)	0.00082 (5)
N3	0.0572 (18)	0.093 (2)	0.0439 (15)	−0.0352 (17)	−0.0164 (14)	−0.0075 (15)
C25	0.0450 (15)	0.0531 (16)	0.0263 (12)	−0.0261 (13)	−0.0036 (11)	−0.0075 (11)
C26	0.0471 (16)	0.0555 (18)	0.0331 (14)	−0.0156 (13)	−0.0087 (12)	−0.0111 (12)

Geometric parameters (Å, º)

C13—O4	1.457 (2)	C4—H4C	0.98
C13—C15	1.521 (3)	C5—O2	1.448 (2)
C13—C16	1.522 (3)	C5—C6	1.524 (3)
C13—C14	1.532 (3)	C5—C7	1.525 (3)
C14—H14A	0.98	C5—C8	1.527 (3)
C14—H14B	0.98	C6—H6A	0.98
C14—H14C	0.98	C6—H6B	0.98
C15—H15A	0.98	C6—H6C	0.98
C15—H15B	0.98	C7—H7A	0.98
C15—H15C	0.98	C7—H7B	0.98
C16—H16A	0.98	C7—H7C	0.98
C16—H16B	0.98	C8—H8A	0.98
C16—H16C	0.98	C8—H8B	0.98
C17—O5	1.441 (2)	C8—H8C	0.98
C17—C20	1.520 (4)	C9—O3	1.449 (2)
C17—C18	1.526 (3)	C9—C11	1.526 (3)
C17—C19	1.529 (3)	C9—C12	1.527 (3)
C18—H18A	0.98	C9—C10	1.528 (3)
C18—H18B	0.98	C10—H10A	0.98
C18—H18C	0.98	C10—H10B	0.98
C19—H19A	0.98	C10—H10C	0.98
C19—H19B	0.98	C11—H11A	0.98
C19—H19C	0.98	C11—H11B	0.98
C20—H20A	0.98	C11—H11C	0.98
C20—H20B	0.98	C12—H12A	0.98
C20—H20C	0.98	C12—H12B	0.98
C21—O6	1.446 (3)	C12—H12C	0.98
C21—C24	1.523 (3)	Cd1—S1	2.4820 (5)
C21—C23	1.525 (3)	Cd1—S2	2.4647 (5)
C21—C22	1.528 (3)	Cd1—N1	2.282 (2)
C22—H22A	0.98	Cd1—N2	2.2898 (19)
C22—H22B	0.98	S1—Si1	2.0810 (7)
C22—H22C	0.98	S2—Si2	2.0849 (7)
C23—H23A	0.98	Si1—O1	1.6422 (15)
C23—H23B	0.98	Si1—O2	1.6353 (15)
C23—H23C	0.98	Si1—O3	1.6470 (15)
C24—H24A	0.98	Si2—O4	1.6407 (14)
C24—H24B	0.98	Si2—O5	1.6339 (15)
C24—H24C	0.98	Si2—O6	1.6338 (15)
C1—O1	1.451 (2)	N1—H1B	0.84 (3)
C1—C2	1.524 (3)	N1—H1C	0.82 (3)
C1—C3	1.527 (3)	N1—H1A	0.86 (4)
C1—C4	1.528 (3)	N2—H2F	0.85 (3)
C2—H2A	0.98	N2—H2E	0.83 (3)
C2—H2B	0.98	N2—H2D	0.86 (4)
C2—H2C	0.98	N3—C25	1.135 (4)
C3—H3A	0.98	C25—C26	1.458 (4)
C3—H3B	0.98	C26—H26A	0.98
C3—H3C	0.98	C26—H26B	0.98
C4—H4A	0.98	C26—H26C	0.98
C4—H4B	0.98
O4—C13—C15	105.18 (16)	H4B—C4—H4C	109.5
O4—C13—C16	111.77 (17)	O2—C5—C6	110.85 (17)
C15—C13—C16	109.32 (18)	O2—C5—C7	105.36 (18)
O4—C13—C14	107.77 (17)	C6—C5—C7	110.3 (2)
C15—C13—C14	111.07 (19)	O2—C5—C8	108.44 (18)
C16—C13—C14	111.6 (2)	C6—C5—C8	111.0 (2)
C13—C14—H14A	109.5	C7—C5—C8	110.7 (2)
C13—C14—H14B	109.5	C5—C6—H6A	109.5
H14A—C14—H14B	109.5	C5—C6—H6B	109.5
C13—C14—H14C	109.5	H6A—C6—H6B	109.5
H14A—C14—H14C	109.5	C5—C6—H6C	109.5
H14B—C14—H14C	109.5	H6A—C6—H6C	109.5
C13—C15—H15A	109.5	H6B—C6—H6C	109.5
C13—C15—H15B	109.5	C5—C7—H7A	109.5
H15A—C15—H15B	109.5	C5—C7—H7B	109.5
C13—C15—H15C	109.5	H7A—C7—H7B	109.5
H15A—C15—H15C	109.5	C5—C7—H7C	109.5
H15B—C15—H15C	109.5	H7A—C7—H7C	109.5
C13—C16—H16A	109.5	H7B—C7—H7C	109.5
C13—C16—H16B	109.5	C5—C8—H8A	109.5
H16A—C16—H16B	109.5	C5—C8—H8B	109.5
C13—C16—H16C	109.5	H8A—C8—H8B	109.5
H16A—C16—H16C	109.5	C5—C8—H8C	109.5
H16B—C16—H16C	109.5	H8A—C8—H8C	109.5
O5—C17—C20	109.00 (19)	H8B—C8—H8C	109.5
O5—C17—C18	104.93 (19)	O3—C9—C11	108.39 (16)
C20—C17—C18	110.5 (2)	O3—C9—C12	105.70 (17)
O5—C17—C19	110.38 (18)	C11—C9—C12	110.53 (19)
C20—C17—C19	111.0 (2)	O3—C9—C10	112.25 (16)
C18—C17—C19	110.8 (2)	C11—C9—C10	110.50 (19)
C17—C18—H18A	109.5	C12—C9—C10	109.37 (18)
C17—C18—H18B	109.5	C9—C10—H10A	109.5
H18A—C18—H18B	109.5	C9—C10—H10B	109.5
C17—C18—H18C	109.5	H10A—C10—H10B	109.5
H18A—C18—H18C	109.5	C9—C10—H10C	109.5
H18B—C18—H18C	109.5	H10A—C10—H10C	109.5
C17—C19—H19A	109.5	H10B—C10—H10C	109.5
C17—C19—H19B	109.5	C9—C11—H11A	109.5
H19A—C19—H19B	109.5	C9—C11—H11B	109.5
C17—C19—H19C	109.5	H11A—C11—H11B	109.5
H19A—C19—H19C	109.5	C9—C11—H11C	109.5
H19B—C19—H19C	109.5	H11A—C11—H11C	109.5
C17—C20—H20A	109.5	H11B—C11—H11C	109.5
C17—C20—H20B	109.5	C9—C12—H12A	109.5
H20A—C20—H20B	109.5	C9—C12—H12B	109.5
C17—C20—H20C	109.5	H12A—C12—H12B	109.5
H20A—C20—H20C	109.5	C9—C12—H12C	109.5
H20B—C20—H20C	109.5	H12A—C12—H12C	109.5
O6—C21—C24	108.21 (18)	H12B—C12—H12C	109.5
O6—C21—C23	111.60 (18)	Cd1—N1—H1B	115 (2)
C24—C21—C23	110.4 (2)	Cd1—N1—H1C	105 (2)
O6—C21—C22	105.86 (18)	H1B—N1—H1C	110 (3)
C24—C21—C22	110.2 (2)	Cd1—N1—H1A	108 (2)
C23—C21—C22	110.5 (2)	H1B—N1—H1A	107 (3)
C21—C22—H22A	109.5	H1C—N1—H1A	111 (3)
C21—C22—H22B	109.5	Cd1—N2—H2F	110.8 (19)
H22A—C22—H22B	109.5	Cd1—N2—H2E	108 (2)
C21—C22—H22C	109.5	H2F—N2—H2E	111 (3)
H22A—C22—H22C	109.5	Cd1—N2—H2D	109 (3)
H22B—C22—H22C	109.5	H2F—N2—H2D	109 (3)
C21—C23—H23A	109.5	H2E—N2—H2D	110 (3)
C21—C23—H23B	109.5	C13—O4—Si2	130.14 (12)
H23A—C23—H23B	109.5	C17—O5—Si2	132.88 (14)
C21—C23—H23C	109.5	C21—O6—Si2	132.71 (14)
H23A—C23—H23C	109.5	C1—O1—Si1	132.03 (13)
H23B—C23—H23C	109.5	C5—O2—Si1	132.52 (14)
C21—C24—H24A	109.5	C9—O3—Si1	129.87 (13)
C21—C24—H24B	109.5	O6—Si2—O5	111.86 (8)
H24A—C24—H24B	109.5	O6—Si2—O4	106.43 (8)
C21—C24—H24C	109.5	O5—Si2—O4	104.96 (8)
H24A—C24—H24C	109.5	O6—Si2—S2	106.95 (6)
H24B—C24—H24C	109.5	O5—Si2—S2	113.06 (6)
O1—C1—C2	111.32 (17)	O4—Si2—S2	113.48 (6)
O1—C1—C3	108.37 (17)	O2—Si1—O1	105.47 (8)
C2—C1—C3	110.44 (19)	O2—Si1—O3	111.84 (8)
O1—C1—C4	105.32 (17)	O1—Si1—O3	104.49 (7)
C2—C1—C4	110.49 (19)	O2—Si1—S1	112.14 (6)
C3—C1—C4	110.78 (19)	O1—Si1—S1	114.28 (6)
C1—C2—H2A	109.5	O3—Si1—S1	108.40 (6)
C1—C2—H2B	109.5	Si2—S2—Cd1	99.79 (2)
H2A—C2—H2B	109.5	Si1—S1—Cd1	99.65 (2)
C1—C2—H2C	109.5	N1—Cd1—N2	98.10 (8)
H2A—C2—H2C	109.5	N1—Cd1—S2	105.57 (6)
H2B—C2—H2C	109.5	N2—Cd1—S2	114.54 (5)
C1—C3—H3A	109.5	N1—Cd1—S1	107.08 (6)
C1—C3—H3B	109.5	N2—Cd1—S1	105.12 (5)
H3A—C3—H3B	109.5	S2—Cd1—S1	123.312 (18)
C1—C3—H3C	109.5	N3—C25—C26	179.7 (4)
H3A—C3—H3C	109.5	C25—C26—H26A	109.5
H3B—C3—H3C	109.5	C25—C26—H26B	109.5
C1—C4—H4A	109.5	H26A—C26—H26B	109.5
C1—C4—H4B	109.5	C25—C26—H26C	109.5
H4A—C4—H4B	109.5	H26A—C26—H26C	109.5
C1—C4—H4C	109.5	H26B—C26—H26C	109.5
H4A—C4—H4C	109.5

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1B···S2^i	0.84 (3)	2.65 (3)	3.479 (2)	173 (3)
N1—H1A···N3	0.86 (4)	2.39 (4)	3.204 (4)	158 (3)
N1—H1C···O3	0.82 (3)	2.42 (3)	3.115 (3)	143 (3)
N2—H2F···O1	0.85 (3)	2.48 (3)	3.246 (3)	151 (3)
N2—H2E···O4	0.83 (3)	2.60 (3)	3.248 (3)	137 (3)
N2—H2D···N3	0.86 (4)	2.47 (4)	3.271 (4)	155 (3)
C26—H26C···O6^ii	0.98	2.54	3.519 (3)	173

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