Information card for entry 2208393

Structure parameters

• Chemical name: (3,5-Dimethylpyridine)bis(tri-tert-butoxysilanethiolato)cadmium(II)
• Formula: C31 H63 Cd N O6 S2 Si2
• Calculated formula: C31 H63 Cd N O6 S2 Si2
• SMILES: [Cd]12(S[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(S[Si]([O]2C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[n]1cc(cc(c1)C)C
• Title of publication: (3,5-Dimethylpyridine)bis(tri-<i>tert</i>-butoxysilanethiolato)cadmium(II)
• Authors of publication: Dołȩga, Anna; Chojnacki, Jarosław; Konitz, Antoni; Komuda, Wioletta; Wojnowski, Wiesław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m636 - m639
• a: 14.5499 ± 0.0006 Å
• b: 12.8873 ± 0.0006 Å
• c: 23.9692 ± 0.0009 Å
• α: 90°
• β: 114.167 ± 0.003°
• γ: 90°
• Cell volume: 4100.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No