Information card for entry 4111428

Structure parameters

• Formula: C32 H29 Cl P2 Pt S
• Calculated formula: C32 H29 Cl P2 Pt S
• SMILES: c1ccc([P]([Pt]2(SCC[P]2(c2ccccc2)c2ccccc2)Cl)(c2ccccc2)c2ccccc2)cc1
• Title of publication: On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase
• Authors of publication: P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1933 - 1945
• a: 11.84 ± 0.005 Å
• b: 14.971 ± 0.007 Å
• c: 16.114 ± 0.007 Å
• α: 90°
• β: 90.842 ± 0.008°
• γ: 90°
• Cell volume: 2856 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No