Information card for entry 4323472

Structure parameters

• Formula: C18 H31 B Cl2 N6 P Rh
• Calculated formula: C18 H31 B Cl2 N6 P Rh
• SMILES: [Rh]12(Cl)(Cl)([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)[P](C)(C)C
• Title of publication: Synthesis and Characterization of (Tris(3,5-dimethylpyrazolyl)borato)rhodium Alkyl and Vinyl Chloride Complexes
• Authors of publication: Douglas D. Wick; William D. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2723 - 2729
• a: 10.9384 ± 0.0006 Å
• b: 17.3111 ± 0.0009 Å
• c: 13.5132 ± 0.0007 Å
• α: 90°
• β: 111.636 ± 0.001°
• γ: 90°
• Cell volume: 2378.5 ± 0.2 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0301
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0553
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No