Information card for entry 4102017

Structure parameters

• Chemical name: [(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane}iodotungsten)]
• Formula: C434 H388 Cl4 I8 P32 W8
• Calculated formula: C434 H388 Cl4 I8 P32 W8
• Title of publication: Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes
• Authors of publication: Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3115 - 3127
• a: 34.7541 ± 0.0003 Å
• b: 13.2842 ± 0.0001 Å
• c: 20.1653 ± 0.0002 Å
• α: 90°
• β: 96.467 ± 0.001°
• γ: 90°
• Cell volume: 9250.68 ± 0.14 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No