Information card for entry 4102015

Structure parameters

• Chemical name: [(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane} chlorotungsten)]
• Formula: C66 H54 Cl2 O4 P4 W2
• Calculated formula: C66 H54 Cl2 O4 P4 W2
• 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: 24.9296 ± 0.0002 Å
• b: 12.9619 ± 0.0002 Å
• c: 20.4535 ± 0.0002 Å
• α: 90°
• β: 92.7816 ± 0.001°
• γ: 90°
• Cell volume: 6601.45 ± 0.13 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: 0.044
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No