Information card for entry 4313808

Structure parameters

• Common name: BB-III-O4
• Formula: C27 H26 B Cl2 N7 Os P
• Calculated formula: C27 H26 B Cl2 N7 Os P
• SMILES: [BH]12n3ccc[n]3[Os]([n]3cccn13)([n]1cccn21)([NH]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Osmium Phosphiniminato Complexes: Synthesis, Protonation, Structure, and Redox-Coupled Hydrolytic Scission of N-P Bonds
• Authors of publication: Brian K. Bennett; Erik Saganic; Scott Lovell; Werner Kaminsky; Amanda Samuel; James M. Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4127 - 4134
• a: 8.756 ± 0.0004 Å
• b: 15.172 ± 0.0004 Å
• c: 20.913 ± 0.0011 Å
• α: 90°
• β: 96.9 ± 0.0017°
• γ: 90°
• Cell volume: 2758.1 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No