Information card for entry 4102515

Structure parameters

• Chemical name: [bis(μ-buta-1,3-diynyl)(μ-but-2-yn-1,4-diylidyne)bis (di{1,2-bis(diphenylphosphino)ethane}tungsten)bis (di{1,2-bis(diethylphosphino)ethane}chloroiron)]
• Formula: C158 H196 Cl6 Fe2 P16 W2
• Calculated formula: C158.01 H196.02 Cl6.02 Fe2 P16 W2
• Title of publication: An Iron-Capped Metal-Organic Polyyne: {[Fe](C\τbC)2[W]\τbCC\τbCC\τb[W](C\τbC)2[Fe]}
• Authors of publication: Sergey N. Semenov; Shiva F. Taghipourian; 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: 7584 - 7585
• a: 46.1875 ± 0.0007 Å
• b: 19.2094 ± 0.0003 Å
• c: 17.58 ± 0.0003 Å
• α: 90°
• β: 93.679 ± 0.001°
• γ: 90°
• Cell volume: 15565.4 ± 0.4 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: 0.0598
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No