Information card for entry 4313806

Structure parameters

• Common name: ESI99 data2
• Chemical name: ESI99 data2
• Formula: C27 H25 B Cl2 N7 Os P
• Calculated formula: C27 H25 B Cl2 N7 Os P
• SMILES: [Os]12(Cl)(Cl)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.664 ± 0.0003 Å
• b: 15.305 ± 0.0006 Å
• c: 21.727 ± 0.001 Å
• α: 90°
• β: 107.5 ± 0.0013°
• γ: 90°
• Cell volume: 2747.71 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No