Information card for entry 1561735

Structure parameters

• Formula: C18 H36 Cu3 Mo N3 O S3
• Calculated formula: C18 H36 Cu3 Mo N3 O S3
• Title of publication: Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties
• Authors of publication: Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 231
• Pages of publication: 230 - 238
• a: 11.482 ± 0.002 Å
• b: 15.535 ± 0.003 Å
• c: 15.861 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2829.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No