Information card for entry 7120124

Structure parameters

• Chemical name: [(Acetylene)(carbonyl)(cyanido){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]
• Formula: C23 H32 B Cl2 N7 O W
• Calculated formula: C22 H30 B N7 O 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: 11.8346 ± 0.0004 Å
• b: 24.9365 ± 0.0008 Å
• c: 9.9552 ± 0.0003 Å
• α: 90°
• β: 114.209 ± 0.002°
• γ: 90°
• Cell volume: 2679.54 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No