Information card for entry 7004355

Structure parameters

• Formula: C49 H108 Cd N2 O6 S4 Si2
• Calculated formula: C49 H108 Cd N2 O6 S4 Si2
• SMILES: [Cd]1(S[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(S[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[S]=C(S1)N(CC)CC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC
• Title of publication: In search of molecular precursors for cadmium sulfide—new complexes with a sulfur-rich kernel: cadmium(ii) tri-tert-butoxysilanethiolates with additional diethyldithiocarbamato ligand
• Authors of publication: Kropidłowska, Anna; Chojnacki, Jarosław; Fahmi, Amir; Becker, Barbara
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6825 - 6831
• a: 12.5826 ± 0.0005 Å
• b: 23.0701 ± 0.0006 Å
• c: 22.6833 ± 0.0008 Å
• α: 90°
• β: 105.532 ± 0.003°
• γ: 90°
• Cell volume: 6344.1 ± 0.4 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: 0.057
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No