Information card for entry 4102018

Structure parameters

• Chemical name: [(μ-but-2-yn-1,4-diylidyne(dicarbonyl(tri{1,2-bis(diphenylphosphinoethane)})diiodo-ditungsten)]
• Formula: C169 H146 Cl2 I4 O4 P12 W4
• Calculated formula: C169 H146 Cl2 I4 O4 P12 W4
• 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: 18.7529 ± 0.0006 Å
• b: 23.9809 ± 0.0007 Å
• c: 19.4363 ± 0.0007 Å
• α: 90°
• β: 115.899 ± 0.004°
• γ: 90°
• Cell volume: 7862.9 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• 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: 0.1012
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No