Information card for entry 4102019

Structure parameters

• Chemical name: [(μ-but-2-yn-1,4-diylidyne)(dicarbonyl)(tri{1,2-bis (diphenylphosphinoethane)})diiodo-ditungsten)] hexafluorophosphate
• Formula: C185 H178 Cl2 F12 I4 O8 P14 W4
• Calculated formula: C185 H178 Cl2 F12 I4 O8 P14 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: 16.9627 ± 0.0002 Å
• b: 16.7625 ± 0.0002 Å
• c: 36.087 ± 0.0001 Å
• α: 90°
• β: 118.139 ± 0.001°
• γ: 90°
• Cell volume: 9048.1 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No