Information card for entry 2211330

Structure parameters

• Chemical name: Diamminebis(tri-tert-butoxysilanethiolato)cadmium(II) acetonitrile solvate
• Formula: C26 H63 Cd N3 O6 S2 Si2
• Calculated formula: C26 H63 Cd N3 O6 S2 Si2
• SMILES: C(C)(C)(C)O[Si](OC(C)(C)C)(OC(C)(C)C)S[Cd]([NH3])([NH3])S[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.N#CC
• Title of publication: Diamminebis(tri-<i>tert</i>-butoxysilanethiolato)cadmium(II) acetonitrile solvate
• Authors of publication: Dołęga, Anna; Godlewska, Sylwia; Baranowska, Katarzyna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3567 - m3569
• a: 9.5244 ± 0.0006 Å
• b: 13.0693 ± 0.0008 Å
• c: 16.8974 ± 0.0009 Å
• α: 82.035 ± 0.005°
• β: 75.877 ± 0.005°
• γ: 77.502 ± 0.005°
• Cell volume: 1983.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes