Information card for entry 4327570

Structure parameters

• Chemical name: fac-Bromo(2-pyridylbis(diphenylphosphino)methane)tricarbonylrhenium(I) acetone solvate
• Formula: C35.25 H29.5 Br N O3.75 P2 Re
• Calculated formula: C35.25 H29.5 Br N O3.75 P2 Re
• Title of publication: Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
• Authors of publication: Joel T. Mague; Jamin L. Krinsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1962 - 1971
• a: 17.0065 ± 0.0019 Å
• b: 10.8139 ± 0.0007 Å
• c: 20.6781 ± 0.0018 Å
• α: 90°
• β: 114.175 ± 0.009°
• γ: 90°
• Cell volume: 3469.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1263
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No