Information card for entry 7120128

Structure parameters

• Chemical name: [(Carbonyl)(cyanido){bis(diphenylphosphino)acetylene}}{hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]
• Formula: C46.31 H48.62 B Cl0.62 N7 O P2 W
• Calculated formula: C46 H48 B N7 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: 13.02 ± 0.003 Å
• b: 19.697 ± 0.004 Å
• c: 19.523 ± 0.004 Å
• α: 90°
• β: 96.911 ± 0.009°
• γ: 90°
• Cell volume: 4970.4 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No