Information card for entry 7120125

Structure parameters

• Chemical name: Carbonyl-bis(diphenylphosphino)ethyne-hydridotris(3,4,5-trimethylpyrazolyl)borate-iodido-tungsten(III)-hexafluoroborate
• Formula: C45.58 H49.4 B Cl1.2 F6 I N6 O P3 W
• Calculated formula: C45.599 H49.408 B Cl1.198 F6 I N6 O P3 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: 13.1608 ± 0.0004 Å
• b: 19.5011 ± 0.0006 Å
• c: 20.3015 ± 0.0005 Å
• α: 90°
• β: 106.144 ± 0.001°
• γ: 90°
• Cell volume: 5004.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 10
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No