Information card for entry 4314689

Structure parameters

• Formula: C25 H44 Cu N3 O S4 W
• Calculated formula: C25 H44 Cu N3 O S4 W
• Title of publication: Reactions of Monodithiolene Tungsten(VI) Sulfido Complexes with Copper(I) in Relation to the Structure of the Active Site of Carbon Monoxide Dehydrogenase
• Authors of publication: Stanislav Groysman; Amit Majumdar; Shao-Liang Zheng; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1082 - 1089
• a: 12.0614 ± 0.0007 Å
• b: 12.4137 ± 0.0007 Å
• c: 12.699 ± 0.0007 Å
• α: 117.798 ± 0.0008°
• β: 104.024 ± 0.0009°
• γ: 96.7898 ± 0.0009°
• Cell volume: 1571.49 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No