Information card for entry 7027766

Structure parameters

• Formula: C30 H29 Cd O3 P S3
• Calculated formula: C30 H29 Cd O3 P S3
• SMILES: [Cd]123(SC(=[O]1)C)(SC(=[O]2)C)SC(=[O]3)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Thioacetate complexes of Group 12 metals. Structures of [Ph4P][Zn(SC{O}Me)3(H2O)] and [Ph4P][Cd(SC{O}Me)3] †
• Authors of publication: Sampanthar, Jeyagowry T.; Deivaraj, Theivanayagam C.; Vittal, Jagadese J.; Dean, Philip A. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 4419
• a: 10.7195 ± 0.0001 Å
• b: 13.0561 ± 0.0002 Å
• c: 11.2199 ± 0.0002 Å
• α: 90°
• β: 100.701 ± 0.001°
• γ: 90°
• Cell volume: 1542.97 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.0656
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No