Information card for entry 7120123

Structure parameters

• Chemical name: [(Carbonyl){bis(diphenylphosphino)acetylene}(iodido){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]
• Formula: C50 H60 B I N6 O P2 W
• Calculated formula: C50 H60 B I N6 O P2 W
• Title of publication: Synthesis and activation potential of an open shell diphosphine.
• Authors of publication: Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• a: 13.101 ± 0.0005 Å
• b: 19.6181 ± 0.0008 Å
• c: 19.5916 ± 0.0008 Å
• α: 90°
• β: 99.121 ± 0.001°
• γ: 90°
• Cell volume: 4971.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No