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The title compound, [Cd(C12H27O3SSi)2(C7H9N)], is a mol­ecular heteroleptic cadmium thiol­ate containing an additional 3,5-dimethyl­pyridine ligand. The CdII ion is located at the centre of the trigonal bipyramid formed by five atoms, viz. two S, two O and one N. Mol­ecules pack as discrete units, with no short inter­molecular contacts.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806006258/ng2006sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806006258/ng2006Isup2.hkl
Contains datablock I

CCDC reference: 601221

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C)= 0.005 Å
  • R factor = 0.040
  • wR factor = 0.098
  • Data-to-parameter ratio = 17.6

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Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2005); cell refinement: CrysAlis RED (Oxford Diffraction, 2005); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97??? (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLEASE PROVIDE; software used to prepare material for publication: PLEASE PROVIDE.

(3,5-Dimethylpyridine)bis(tri-tert-butoxysilanethiolato)cadmium(II) top
Crystal data top
[Cd(C12H27O3SSi)2(C7H9N)]F(000) = 1648
Mr = 778.05Dx = 1.26 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 18919 reflections
a = 14.5499 (6) Åθ = 2.8–32.5°
b = 12.8873 (6) ŵ = 0.73 mm1
c = 23.9692 (9) ÅT = 120 K
β = 114.167 (3)°Block, colourless
V = 4100.5 (3) Å30.21 × 0.15 × 0.09 mm
Z = 4
Data collection top
Kuma KM-4 four-axis difractometer with SAPHIRE2 CCD detector
diffractometer
7190 independent reflections
Graphite monochromator6733 reflections with I > 2σ(I)
Detector resolution: 8.1883 pixels mm-1Rint = 0.025
Ω scansθmax = 25°, θmin = 3.0°
Absorption correction: numerical
(CrysAlis RED; Oxford Diffraction, 2005)
h = 1417
Tmin = 0.807, Tmax = 0.871k = 158
18919 measured reflectionsl = 2828
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.099H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0407P)2 + 9.2291P]
where P = (Fo2 + 2Fc2)/3
7190 reflections(Δ/σ)max = 0.016
408 parametersΔρmax = 1.05 e Å3
0 restraintsΔρmin = 0.59 e Å3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Cd10.240494 (15)0.694417 (16)0.745634 (9)0.01917 (8)
S10.07577 (5)0.74906 (6)0.73821 (3)0.02257 (17)
S20.40411 (5)0.74599 (6)0.74967 (3)0.01992 (16)
Si10.01947 (6)0.73390 (6)0.64346 (3)0.01644 (17)
Si20.46141 (6)0.74251 (6)0.84487 (3)0.01620 (17)
O10.11915 (14)0.70626 (15)0.62969 (8)0.0181 (4)
O20.05592 (14)0.63594 (15)0.61516 (9)0.0193 (4)
O30.04055 (15)0.83563 (15)0.60588 (9)0.0205 (4)
O40.36171 (14)0.71971 (16)0.85975 (8)0.0192 (4)
O50.53737 (15)0.64673 (16)0.87722 (9)0.0214 (4)
O60.52109 (14)0.84770 (15)0.87736 (9)0.0203 (4)
N10.24434 (17)0.5164 (2)0.75095 (10)0.0211 (5)
C10.1271 (2)0.6753 (2)0.57334 (13)0.0233 (6)
C20.2279 (3)0.7142 (3)0.57834 (16)0.0374 (8)
H2A0.22820.79020.57880.045*
H2B0.23990.68940.54330.045*
H2C0.28110.68820.61620.045*
C30.0411 (3)0.7196 (3)0.51747 (14)0.0355 (8)
H3A0.02330.6950.51650.043*
H3B0.04810.69680.48040.043*
H3C0.04320.79550.51950.043*
C40.1243 (3)0.5568 (3)0.57105 (15)0.0342 (8)
H4A0.18180.5290.60620.041*
H4B0.12790.53310.53310.041*
H4C0.06150.53220.57230.041*
C50.1489 (2)0.6062 (2)0.61920 (13)0.0234 (6)
C60.2107 (3)0.7002 (3)0.61939 (17)0.0352 (8)
H6A0.17340.74250.65570.042*
H6B0.27460.67780.62010.042*
H6C0.22440.74150.58250.042*
C70.1229 (2)0.5429 (3)0.67762 (15)0.0357 (8)
H7A0.08470.48110.67620.043*
H7B0.18520.52170.68090.043*
H7C0.08230.58530.71310.043*
C80.2048 (3)0.5393 (3)0.56334 (15)0.0357 (8)
H8A0.21810.57980.52620.043*
H8B0.26880.51620.56370.043*
H8C0.16360.47870.56410.043*
C90.0249 (2)0.9457 (2)0.61784 (15)0.0280 (7)
C100.0843 (3)0.9987 (3)0.55678 (17)0.0383 (8)
H10A0.05920.97520.52670.046*
H10B0.0761.07410.56180.046*
H10C0.15580.9810.54260.046*
C110.0674 (3)0.9765 (3)0.66415 (15)0.0337 (8)
H11A0.13920.95890.64790.04*
H11B0.0591.05130.67170.04*
H11C0.03130.93890.70250.04*
C120.0871 (3)0.9717 (3)0.6415 (2)0.0463 (10)
H12A0.12360.93770.6810.056*
H12B0.09631.0470.64630.056*
H12C0.11340.9470.61220.056*
C130.3537 (2)0.6995 (2)0.91764 (13)0.0237 (6)
C140.2476 (3)0.7306 (3)0.90710 (15)0.0345 (8)
H14A0.23820.80480.89760.041*
H14B0.23650.71630.9440.041*
H14C0.19930.69070.87280.041*
C150.4308 (3)0.7628 (3)0.96903 (15)0.0417 (9)
H15A0.49880.74120.97510.05*
H15B0.42150.75151.00680.05*
H15C0.42190.83660.95830.05*
C160.3697 (3)0.5838 (3)0.93107 (16)0.0374 (8)
H16A0.31920.54450.89750.045*
H16B0.36320.56810.96930.045*
H16C0.43730.56420.93510.045*
C170.6430 (2)0.6314 (3)0.89128 (15)0.0276 (7)
C180.6690 (3)0.6755 (3)0.84133 (19)0.0445 (10)
H18A0.62830.64130.80250.053*
H18B0.74060.66380.85140.053*
H18C0.6550.75020.83760.053*
C190.7019 (3)0.6859 (3)0.95213 (18)0.0456 (10)
H19A0.68520.760.9480.055*
H19B0.77420.67710.96360.055*
H19C0.68390.65560.98380.055*
C200.6597 (3)0.5155 (3)0.89770 (17)0.0364 (8)
H20A0.6350.48850.92720.044*
H20B0.73190.50070.91210.044*
H20C0.62320.48220.85790.044*
C210.5056 (2)0.9563 (2)0.85984 (14)0.0245 (6)
C220.5605 (3)1.0161 (3)0.91900 (16)0.0360 (8)
H22A0.53021.00010.94780.043*
H22B0.5551.09070.91040.043*
H22C0.63170.9960.9370.043*
C230.3935 (2)0.9821 (3)0.83294 (17)0.0336 (8)
H23A0.35890.94280.79510.04*
H23B0.38431.05660.82410.04*
H23C0.36530.96360.86240.04*
C240.5522 (3)0.9782 (3)0.81492 (16)0.0346 (8)
H24A0.6240.96030.83370.041*
H24B0.54461.0520.80410.041*
H24C0.51830.93640.7780.041*
C250.1640 (2)0.4603 (2)0.71582 (13)0.0226 (6)
H250.10410.49570.69060.027*
C260.1644 (2)0.3521 (2)0.71464 (13)0.0242 (6)
C270.2510 (2)0.3031 (2)0.75408 (13)0.0252 (7)
H270.2530.22940.75530.03*
C280.3350 (2)0.3583 (2)0.79196 (14)0.0241 (6)
C290.3282 (2)0.4661 (2)0.78761 (13)0.0223 (6)
H290.38580.5060.81170.027*
C300.0742 (3)0.2937 (3)0.67125 (16)0.0336 (8)
H30A0.01850.34220.6510.04*
H30B0.05390.24190.6940.04*
H30C0.09120.25870.64040.04*
C310.4300 (3)0.3072 (3)0.83576 (17)0.0342 (8)
H31A0.45930.26590.81280.041*
H31B0.41440.2620.86360.041*
H31C0.47820.36050.85940.041*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.01766 (13)0.01830 (13)0.02089 (13)0.00030 (8)0.00721 (9)0.00065 (8)
S10.0202 (4)0.0320 (4)0.0161 (3)0.0033 (3)0.0080 (3)0.0029 (3)
S20.0204 (4)0.0242 (4)0.0165 (3)0.0033 (3)0.0089 (3)0.0011 (3)
Si10.0167 (4)0.0176 (4)0.0160 (4)0.0008 (3)0.0077 (3)0.0004 (3)
Si20.0178 (4)0.0155 (4)0.0156 (4)0.0014 (3)0.0071 (3)0.0008 (3)
O10.0185 (10)0.0239 (10)0.0145 (9)0.0014 (8)0.0095 (8)0.0010 (8)
O20.0196 (10)0.0208 (10)0.0204 (10)0.0016 (8)0.0111 (8)0.0006 (8)
O30.0215 (10)0.0175 (10)0.0220 (10)0.0017 (8)0.0086 (8)0.0003 (8)
O40.0209 (10)0.0239 (10)0.0148 (9)0.0039 (8)0.0093 (8)0.0020 (8)
O50.0200 (10)0.0214 (10)0.0244 (10)0.0000 (8)0.0108 (8)0.0011 (8)
O60.0197 (10)0.0176 (10)0.0204 (10)0.0027 (8)0.0049 (8)0.0014 (8)
N10.0220 (13)0.0234 (13)0.0198 (12)0.0011 (10)0.0105 (10)0.0016 (10)
C10.0255 (15)0.0330 (17)0.0159 (14)0.0036 (13)0.0129 (12)0.0001 (12)
C20.0340 (19)0.057 (2)0.0326 (18)0.0036 (17)0.0250 (16)0.0031 (16)
C30.0372 (19)0.052 (2)0.0188 (15)0.0135 (17)0.0127 (14)0.0072 (15)
C40.048 (2)0.0351 (19)0.0272 (17)0.0034 (16)0.0235 (16)0.0063 (14)
C50.0175 (14)0.0324 (17)0.0200 (14)0.0039 (12)0.0075 (12)0.0026 (12)
C60.0248 (17)0.042 (2)0.044 (2)0.0015 (15)0.0198 (16)0.0004 (16)
C70.0246 (16)0.049 (2)0.0319 (18)0.0067 (15)0.0100 (14)0.0102 (16)
C80.0340 (18)0.045 (2)0.0281 (17)0.0162 (16)0.0126 (15)0.0091 (15)
C90.0272 (16)0.0168 (15)0.0382 (18)0.0005 (12)0.0115 (14)0.0008 (13)
C100.047 (2)0.0255 (17)0.044 (2)0.0063 (15)0.0210 (18)0.0083 (15)
C110.0343 (18)0.0292 (17)0.0316 (18)0.0098 (15)0.0075 (15)0.0054 (14)
C120.0307 (19)0.0257 (18)0.081 (3)0.0081 (15)0.021 (2)0.0023 (19)
C130.0278 (16)0.0321 (17)0.0160 (14)0.0057 (13)0.0137 (12)0.0034 (12)
C140.0343 (18)0.049 (2)0.0298 (17)0.0023 (16)0.0234 (15)0.0049 (16)
C150.044 (2)0.061 (3)0.0208 (16)0.0173 (19)0.0143 (15)0.0102 (16)
C160.049 (2)0.041 (2)0.0288 (18)0.0025 (17)0.0233 (16)0.0084 (15)
C170.0170 (14)0.0305 (17)0.0319 (17)0.0029 (13)0.0065 (13)0.0089 (14)
C180.0284 (18)0.055 (2)0.055 (2)0.0116 (17)0.0223 (18)0.0244 (19)
C190.0282 (19)0.044 (2)0.046 (2)0.0033 (16)0.0042 (16)0.0072 (17)
C200.0306 (18)0.0334 (19)0.045 (2)0.0081 (15)0.0153 (16)0.0071 (16)
C210.0231 (15)0.0173 (14)0.0299 (16)0.0004 (12)0.0077 (13)0.0009 (12)
C220.040 (2)0.0245 (17)0.0359 (19)0.0068 (15)0.0081 (16)0.0077 (14)
C230.0255 (17)0.0238 (17)0.045 (2)0.0059 (13)0.0080 (15)0.0016 (14)
C240.0369 (19)0.0276 (17)0.0396 (19)0.0090 (15)0.0160 (16)0.0038 (15)
C250.0246 (15)0.0229 (15)0.0234 (15)0.0022 (12)0.0129 (12)0.0018 (12)
C260.0349 (17)0.0227 (15)0.0236 (15)0.0072 (13)0.0205 (13)0.0044 (12)
C270.0394 (19)0.0171 (15)0.0284 (16)0.0021 (12)0.0233 (15)0.0012 (12)
C280.0319 (16)0.0215 (15)0.0267 (15)0.0035 (13)0.0199 (13)0.0029 (12)
C290.0245 (15)0.0220 (15)0.0229 (15)0.0020 (12)0.0123 (12)0.0011 (12)
C300.0384 (19)0.0301 (18)0.0367 (18)0.0122 (15)0.0198 (16)0.0123 (15)
C310.0368 (19)0.0273 (17)0.042 (2)0.0074 (14)0.0199 (16)0.0100 (15)
Geometric parameters (Å, º) top
Cd1—N12.297 (3)C11—H11C0.98
Cd1—S12.4337 (7)C12—H12A0.98
Cd1—S22.4351 (7)C12—H12B0.98
Cd1—O12.6165 (19)C12—H12C0.98
Cd1—O42.5978 (19)C13—C141.512 (4)
Cd1—Si23.1802 (8)C13—C151.520 (4)
Cd1—Si13.1858 (8)C13—C161.524 (5)
S1—Si12.0842 (10)C14—H14A0.98
S2—Si22.0847 (10)C14—H14B0.98
Si1—O11.653 (2)C14—H14C0.98
Si1—O21.627 (2)C15—H15A0.98
Si1—O31.627 (2)C15—H15B0.98
Si2—O41.656 (2)C15—H15C0.98
Si2—O51.626 (2)C16—H16A0.98
Si2—O61.626 (2)C16—H16B0.98
O1—C11.457 (3)C16—H16C0.98
O2—C51.447 (3)C17—C181.507 (5)
O3—C91.447 (4)C17—C201.511 (5)
O4—C131.463 (3)C17—C191.527 (5)
O5—C171.446 (4)C18—H18A0.98
O6—C211.452 (4)C18—H18B0.98
N1—C251.339 (4)C18—H18C0.98
N1—C291.343 (4)C19—H19A0.98
C1—C21.508 (4)C19—H19B0.98
C1—C31.520 (4)C19—H19C0.98
C1—C41.528 (5)C20—H20A0.98
C2—H2A0.98C20—H20B0.98
C2—H2B0.98C20—H20C0.98
C2—H2C0.98C21—C241.516 (5)
C3—H3A0.98C21—C221.521 (4)
C3—H3B0.98C21—C231.525 (4)
C3—H3C0.98C22—H22A0.98
C4—H4A0.98C22—H22B0.98
C4—H4B0.98C22—H22C0.98
C4—H4C0.98C23—H23A0.98
C5—C61.510 (5)C23—H23B0.98
C5—C81.518 (4)C23—H23C0.98
C5—C71.529 (4)C24—H24A0.98
C6—H6A0.98C24—H24B0.98
C6—H6B0.98C24—H24C0.98
C6—H6C0.98C25—C261.394 (4)
C7—H7A0.98C25—H250.95
C7—H7B0.98C26—C271.381 (4)
C7—H7C0.98C26—C301.501 (4)
C8—H8A0.98C27—C281.384 (4)
C8—H8B0.98C27—H270.95
C8—H8C0.98C28—C291.394 (4)
C9—C101.523 (5)C28—C311.503 (4)
C9—C111.528 (5)C29—H290.95
C9—C121.528 (5)C30—H30A0.98
C10—H10A0.98C30—H30B0.98
C10—H10B0.98C30—H30C0.98
C10—H10C0.98C31—H31A0.98
C11—H11A0.98C31—H31B0.98
C11—H11B0.98C31—H31C0.98
N1—Cd1—S1107.09 (6)H10A—C10—H10C109.5
N1—Cd1—S2105.62 (6)H10B—C10—H10C109.5
S1—Cd1—S2147.29 (3)C9—C11—H11A109.5
N1—Cd1—O196.18 (7)C9—C11—H11B109.5
S1—Cd1—O171.90 (4)H11A—C11—H11B109.5
S2—Cd1—O1104.47 (5)C9—C11—H11C109.5
N1—Cd1—O494.37 (7)H11A—C11—H11C109.5
S1—Cd1—O4105.33 (5)H11B—C11—H11C109.5
S2—Cd1—O472.10 (5)C9—C12—H12A109.5
O4—Cd1—O1169.43 (7)C9—C12—H12B109.5
N1—Cd1—Si299.15 (6)H12A—C12—H12B109.5
S1—Cd1—Si2131.44 (2)C9—C12—H12C109.5
S2—Cd1—Si240.95 (2)H12A—C12—H12C109.5
O4—Cd1—Si231.29 (4)H12B—C12—H12C109.5
O1—Cd1—Si2144.98 (4)O4—C13—C14105.5 (2)
N1—Cd1—Si1101.31 (6)O4—C13—C15110.7 (2)
S1—Cd1—Si140.86 (2)C14—C13—C15111.0 (3)
S2—Cd1—Si1130.52 (2)O4—C13—C16108.0 (2)
O4—Cd1—Si1145.67 (5)C14—C13—C16110.6 (3)
O1—Cd1—Si131.17 (4)C15—C13—C16110.8 (3)
Si2—Cd1—Si1159.54 (2)C13—C14—H14A109.5
Si1—S1—Cd189.34 (3)C13—C14—H14B109.5
Si2—S2—Cd189.08 (3)H14A—C14—H14B109.5
O2—Si1—O3106.07 (11)C13—C14—H14C109.5
O2—Si1—O1104.27 (10)H14A—C14—H14C109.5
O3—Si1—O1112.27 (11)H14B—C14—H14C109.5
O2—Si1—S1115.10 (8)C13—C15—H15A109.5
O3—Si1—S1114.21 (8)C13—C15—H15B109.5
O1—Si1—S1104.61 (8)H15A—C15—H15B109.5
O2—Si1—Cd1119.51 (8)C13—C15—H15C109.5
O3—Si1—Cd1134.28 (8)H15A—C15—H15C109.5
O1—Si1—Cd155.03 (7)H15B—C15—H15C109.5
S1—Si1—Cd149.81 (3)C13—C16—H16A109.5
O6—Si2—O5106.20 (11)C13—C16—H16B109.5
O6—Si2—O4112.82 (11)H16A—C16—H16B109.5
O5—Si2—O4104.29 (11)C13—C16—H16C109.5
O6—Si2—S2113.71 (8)H16A—C16—H16C109.5
O5—Si2—S2115.31 (8)H16B—C16—H16C109.5
O4—Si2—S2104.28 (8)O5—C17—C18110.6 (2)
O6—Si2—Cd1134.32 (8)O5—C17—C20105.7 (3)
O5—Si2—Cd1119.36 (8)C18—C17—C20111.8 (3)
O4—Si2—Cd154.56 (7)O5—C17—C19106.7 (3)
S2—Si2—Cd149.96 (3)C18—C17—C19111.1 (3)
C1—O1—Si1130.75 (18)C20—C17—C19110.7 (3)
C1—O1—Cd1133.90 (16)C17—C18—H18A109.5
Si1—O1—Cd193.80 (8)C17—C18—H18B109.5
C5—O2—Si1131.82 (18)H18A—C18—H18B109.5
C9—O3—Si1132.46 (19)C17—C18—H18C109.5
C13—O4—Si2130.78 (18)H18A—C18—H18C109.5
C13—O4—Cd1133.88 (16)H18B—C18—H18C109.5
Si2—O4—Cd194.15 (8)C17—C19—H19A109.5
C17—O5—Si2131.67 (19)C17—C19—H19B109.5
C21—O6—Si2132.51 (18)H19A—C19—H19B109.5
C25—N1—C29118.4 (3)C17—C19—H19C109.5
C25—N1—Cd1120.7 (2)H19A—C19—H19C109.5
C29—N1—Cd1120.9 (2)H19B—C19—H19C109.5
O1—C1—C2106.2 (2)C17—C20—H20A109.5
O1—C1—C3111.4 (2)C17—C20—H20B109.5
C2—C1—C3111.6 (3)H20A—C20—H20B109.5
O1—C1—C4107.2 (2)C17—C20—H20C109.5
C2—C1—C4110.2 (3)H20A—C20—H20C109.5
C3—C1—C4110.1 (3)H20B—C20—H20C109.5
C1—C2—H2A109.5O6—C21—C24108.8 (3)
C1—C2—H2B109.5O6—C21—C22105.0 (2)
H2A—C2—H2B109.5C24—C21—C22110.5 (3)
C1—C2—H2C109.5O6—C21—C23110.2 (2)
H2A—C2—H2C109.5C24—C21—C23111.8 (3)
H2B—C2—H2C109.5C22—C21—C23110.3 (3)
C1—C3—H3A109.5C21—C22—H22A109.5
C1—C3—H3B109.5C21—C22—H22B109.5
H3A—C3—H3B109.5H22A—C22—H22B109.5
C1—C3—H3C109.5C21—C22—H22C109.5
H3A—C3—H3C109.5H22A—C22—H22C109.5
H3B—C3—H3C109.5H22B—C22—H22C109.5
C1—C4—H4A109.5C21—C23—H23A109.5
C1—C4—H4B109.5C21—C23—H23B109.5
H4A—C4—H4B109.5H23A—C23—H23B109.5
C1—C4—H4C109.5C21—C23—H23C109.5
H4A—C4—H4C109.5H23A—C23—H23C109.5
H4B—C4—H4C109.5H23B—C23—H23C109.5
O2—C5—C6111.2 (3)C21—C24—H24A109.5
O2—C5—C8105.6 (2)C21—C24—H24B109.5
C6—C5—C8110.7 (3)H24A—C24—H24B109.5
O2—C5—C7108.4 (2)C21—C24—H24C109.5
C6—C5—C7110.5 (3)H24A—C24—H24C109.5
C8—C5—C7110.3 (3)H24B—C24—H24C109.5
C5—C6—H6A109.5N1—C25—C26122.9 (3)
C5—C6—H6B109.5N1—C25—H25118.5
H6A—C6—H6B109.5C26—C25—H25118.5
C5—C6—H6C109.5C27—C26—C25117.0 (3)
H6A—C6—H6C109.5C27—C26—C30122.6 (3)
H6B—C6—H6C109.5C25—C26—C30120.4 (3)
C5—C7—H7A109.5C26—C27—C28121.8 (3)
C5—C7—H7B109.5C26—C27—H27119.1
H7A—C7—H7B109.5C28—C27—H27119.1
C5—C7—H7C109.5C27—C28—C29116.6 (3)
H7A—C7—H7C109.5C27—C28—C31123.1 (3)
H7B—C7—H7C109.5C29—C28—C31120.4 (3)
C5—C8—H8A109.5N1—C29—C28123.2 (3)
C5—C8—H8B109.5N1—C29—H29118.4
H8A—C8—H8B109.5C28—C29—H29118.4
C5—C8—H8C109.5C26—C30—H30A109.5
H8A—C8—H8C109.5C26—C30—H30B109.5
H8B—C8—H8C109.5H30A—C30—H30B109.5
O3—C9—C10105.6 (3)C26—C30—H30C109.5
O3—C9—C11108.7 (3)H30A—C30—H30C109.5
C10—C9—C11110.1 (3)H30B—C30—H30C109.5
O3—C9—C12110.2 (3)C28—C31—H31A109.5
C10—C9—C12110.9 (3)C28—C31—H31B109.5
C11—C9—C12111.2 (3)H31A—C31—H31B109.5
C9—C10—H10A109.5C28—C31—H31C109.5
C9—C10—H10B109.5H31A—C31—H31C109.5
H10A—C10—H10B109.5H31B—C31—H31C109.5
C9—C10—H10C109.5
N1—Cd1—S1—Si187.60 (7)S1—Si1—O2—C556.8 (3)
S2—Cd1—S1—Si192.15 (5)Cd1—Si1—O2—C5113.2 (2)
O4—Cd1—S1—Si1172.78 (5)O2—Si1—O3—C9163.8 (2)
O1—Cd1—S1—Si13.43 (5)O1—Si1—O3—C982.9 (3)
Si2—Cd1—S1—Si1152.84 (3)S1—Si1—O3—C936.0 (3)
N1—Cd1—S2—Si285.97 (6)Cd1—Si1—O3—C920.6 (3)
S1—Cd1—S2—Si294.27 (5)O6—Si2—O4—C1362.2 (3)
O4—Cd1—S2—Si23.62 (5)O5—Si2—O4—C1352.6 (3)
O1—Cd1—S2—Si2173.21 (5)S2—Si2—O4—C13173.9 (2)
Si1—Cd1—S2—Si2153.58 (3)Cd1—Si2—O4—C13168.6 (3)
Cd1—S1—Si1—O2108.45 (9)O6—Si2—O4—Cd1129.12 (9)
Cd1—S1—Si1—O3128.48 (9)O5—Si2—O4—Cd1116.08 (9)
Cd1—S1—Si1—O15.34 (8)S2—Si2—O4—Cd15.25 (8)
N1—Cd1—Si1—O23.92 (10)N1—Cd1—O4—C1367.6 (2)
S1—Cd1—Si1—O299.20 (9)S1—Cd1—O4—C1341.4 (2)
S2—Cd1—Si1—O2126.07 (9)S2—Cd1—O4—C13172.6 (2)
O4—Cd1—Si1—O2111.60 (11)O1—Cd1—O4—C13114.8 (3)
O1—Cd1—Si1—O287.12 (12)Si2—Cd1—O4—C13168.1 (3)
Si2—Cd1—Si1—O2177.39 (9)Si1—Cd1—O4—C1349.8 (3)
N1—Cd1—Si1—O3171.13 (12)N1—Cd1—O4—Si2100.43 (10)
S1—Cd1—Si1—O385.75 (11)S1—Cd1—O4—Si2150.50 (7)
S2—Cd1—Si1—O348.99 (11)S2—Cd1—O4—Si24.58 (7)
O4—Cd1—Si1—O373.35 (14)O1—Cd1—O4—Si277.2 (3)
O1—Cd1—Si1—O387.94 (14)Si1—Cd1—O4—Si2142.12 (6)
Si2—Cd1—Si1—O37.56 (13)O6—Si2—O5—C1746.8 (3)
N1—Cd1—Si1—O183.20 (10)O4—Si2—O5—C17166.2 (2)
S1—Cd1—Si1—O1173.69 (10)S2—Si2—O5—C1780.1 (3)
S2—Cd1—Si1—O138.95 (9)Cd1—Si2—O5—C17136.7 (2)
O4—Cd1—Si1—O1161.28 (12)O5—Si2—O6—C21162.7 (2)
Si2—Cd1—Si1—O195.49 (10)O4—Si2—O6—C2183.7 (3)
N1—Cd1—Si1—S1103.12 (7)S2—Si2—O6—C2134.8 (3)
S2—Cd1—Si1—S1134.74 (4)Cd1—Si2—O6—C2121.6 (3)
O4—Cd1—Si1—S112.40 (9)S1—Cd1—N1—C2541.1 (2)
O1—Cd1—Si1—S1173.69 (10)S2—Cd1—N1—C25138.7 (2)
Si2—Cd1—Si1—S178.19 (6)O4—Cd1—N1—C25148.7 (2)
Cd1—S2—Si2—O6128.88 (9)O1—Cd1—N1—C2531.8 (2)
Cd1—S2—Si2—O5108.12 (9)Si2—Cd1—N1—C25179.8 (2)
Cd1—S2—Si2—O45.59 (8)Si1—Cd1—N1—C250.7 (2)
N1—Cd1—Si2—O6171.64 (12)S1—Cd1—N1—C29141.4 (2)
S1—Cd1—Si2—O649.00 (12)S2—Cd1—N1—C2938.8 (2)
S2—Cd1—Si2—O685.04 (11)O4—Cd1—N1—C2933.8 (2)
O4—Cd1—Si2—O688.31 (14)O1—Cd1—N1—C29145.7 (2)
O1—Cd1—Si2—O673.54 (13)Si2—Cd1—N1—C292.7 (2)
Si1—Cd1—Si2—O69.67 (13)Si1—Cd1—N1—C29176.8 (2)
N1—Cd1—Si2—O53.65 (10)Si1—O1—C1—C2150.8 (2)
S1—Cd1—Si2—O5126.29 (9)Cd1—O1—C1—C247.2 (3)
S2—Cd1—Si2—O599.67 (9)Si1—O1—C1—C329.2 (4)
O4—Cd1—Si2—O586.98 (12)Cd1—O1—C1—C3168.9 (2)
O1—Cd1—Si2—O5111.17 (11)Si1—O1—C1—C491.4 (3)
Si1—Cd1—Si2—O5175.04 (9)Cd1—O1—C1—C470.6 (3)
N1—Cd1—Si2—O483.33 (11)Si1—O2—C5—C635.7 (4)
S1—Cd1—Si2—O439.31 (10)Si1—O2—C5—C8155.8 (2)
S2—Cd1—Si2—O4173.35 (10)Si1—O2—C5—C786.0 (3)
O1—Cd1—Si2—O4161.85 (12)Si1—O3—C9—C10162.2 (2)
Si1—Cd1—Si2—O497.97 (10)Si1—O3—C9—C1179.7 (3)
N1—Cd1—Si2—S2103.32 (6)Si1—O3—C9—C1242.4 (4)
S1—Cd1—Si2—S2134.04 (4)Si2—O4—C13—C14156.1 (2)
O4—Cd1—Si2—S2173.35 (10)Cd1—O4—C13—C1439.8 (3)
O1—Cd1—Si2—S211.50 (9)Si2—O4—C13—C1535.9 (4)
Si1—Cd1—Si2—S275.37 (6)Cd1—O4—C13—C15159.9 (2)
O2—Si1—O1—C150.8 (3)Si2—O4—C13—C1685.6 (3)
O3—Si1—O1—C163.6 (3)Cd1—O4—C13—C1678.6 (3)
S1—Si1—O1—C1172.0 (2)Si2—O5—C17—C1837.2 (4)
Cd1—Si1—O1—C1167.0 (3)Si2—O5—C17—C20158.4 (2)
O2—Si1—O1—Cd1116.26 (9)Si2—O5—C17—C1983.7 (3)
O3—Si1—O1—Cd1129.36 (9)Si2—O6—C21—C2482.0 (3)
S1—Si1—O1—Cd14.98 (8)Si2—O6—C21—C22159.6 (2)
N1—Cd1—O1—C164.7 (2)Si2—O6—C21—C2340.9 (4)
S1—Cd1—O1—C1170.7 (2)C29—N1—C25—C261.4 (4)
S2—Cd1—O1—C143.2 (2)Cd1—N1—C25—C26176.1 (2)
O4—Cd1—O1—C1112.9 (3)N1—C25—C26—C273.1 (4)
Si2—Cd1—O1—C151.0 (3)N1—C25—C26—C30176.0 (3)
Si1—Cd1—O1—C1166.4 (3)C25—C26—C27—C281.8 (4)
N1—Cd1—O1—Si1101.66 (9)C30—C26—C27—C28177.2 (3)
S1—Cd1—O1—Si14.34 (7)C26—C27—C28—C291.0 (4)
S2—Cd1—O1—Si1150.43 (7)C26—C27—C28—C31179.4 (3)
O4—Cd1—O1—Si180.7 (3)C25—N1—C29—C281.6 (4)
Si2—Cd1—O1—Si1142.67 (6)Cd1—N1—C29—C28179.2 (2)
O3—Si1—O2—C570.5 (2)C27—C28—C29—N12.8 (4)
O1—Si1—O2—C5170.8 (2)C31—C28—C29—N1177.6 (3)
Comparison of Cd—S and Cd—N bond lengths (Å) and geometry for selected cadmium thiolates top
CompoundCd—XComplex
Geometry
X = S
(I)a2.4337 (7)trig. bipyramidal
2.4351 (7)
KIKHANb2.417 (2)tetrahedral
2.436 (2)
KIKHERb2.454 (3)trig. bipyramidal
2.474 (4)
FIKYAZ10b2.471 (3)tetrahedral
2.451 (3)
KELWAZc2.419 (3)trigonal
2.421 (3)
2.428 (3)
TABXAVd2.377 (6)trigonal (tS)l
2.583 (7)trigonal (bS)l
PAGBAAe2.409 (2)trigonal (tS)l
2.548 (2)trigonal (bS)l
ZOJLALf2.433 (3)tetrahedral
2.440 (3)
DILHAHg2.453 (3)tetrahedral
2.459 (3)
GUFFUIh2.466 (1)tetrahedral
2.467 (1)
JUKYAVi2.4806 (8)tetrahedral
2.4536 (8)tetrahedral
HOKFUIj2.460 (3)sq. pyramidal
2.474 (3)
X = N
Ia2.297 (3)trig. bipyramidal
RAGDIMk2.340 (3)tetrahedral
FIKYAZ10b2.259 (9)tetrahedral
2.268 (9)
DILHAHg2.286 (8)tetrahedral
2.261 (8)
GUFFUIh2.275 (4)tetrahedral
2.296 (4)
JUQYAVi2.261 (2)tetrahedral
2.245 (2)
Notes: (a) this work; (b) Santos et al. (1990) {KIKHAN is bis(2,4,6-tri-isopropylbenzenethiolato)(bipyridyl-N,N') cadmium(II), KIKHER is bis[(µ2-2,4,6-tri-isopropylbenzenethiolato-S,S') (1,10-phenanthroline-N,N')cadmium(II)], FIKYAZ10 is bis(2,4,6-tri-isopropylbenzenethiolato)bis(N-methylimidazol-3-yl) cadmium(II)}; (c) Gruff & Koch (1990) {KELWAZ is tetraphenylphosphonium tris[(2,4,6-tri-isopropyl)benzenethiolato] cadmium(II) dimethylformamide isopropanol solvate}; (d) Bochmann et al. (1990) {TABXAV is bis[(µ2-2,4,6-tri-tert-butylbenzenethiolato-S,S) (2,4,6-tri-tert-butylbenzenethiolato-S)cadmium(II)]}; (e) Wojnowski et al. (1992) {PAGBAA is bis[(µ2-tri-tert-butoxysilanethiolato) (tri-tert-butoxysilanethiolato)cadmium(II)]}; (f) Edwards et al. (1996) [ZOJLAL is (tetramethylethylenediamine)bis(tritylthiolato)cadmium(II)]; (g) Mugesh et al. (1999) {DILHAH is bis[2-(4,4-dimethyl-2-oxazolinyl)phenylthiolato-N,S]cadmium(II)]; (h) Otto et al. (1999) {GUFFUI is bis(N-methylimidazole)bis[N-(2-thiophenyl)-2,5-dimethylpyrrole] cadmium(II)}; (i) Sun et al. (1999) {JUQJAV is bis[(2-(benzoylamino)benzenethiolato] (N-methylimidazole)cadmium(II) hemihydrate}; (j) Pérez-Lourido et al. (1999) [HOKFUI is bis(2-diphenyl(oxo) phosphanyl-6-trimethylsilylphenylthiolato)(methanol) cadmium(II)]; (k) Nyman et al. (1997) [RAGDIM is bis(3,5-dimethylpyridine)bis(thiopivaloato)cadmium(II)]; (l) tS denotes terminal S; bS denotes bridged S.
 

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