Information card for entry 4323470

Structure parameters

• Formula: C24 H40 B Cl N7 Rh
• Calculated formula: C24 H40 B Cl N7 Rh
• SMILES: [Rh]12(Cl)([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)(C#[N]CC(C)(C)C)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: 27.8224 ± 0.0001 Å
• b: 14.2541 ± 0.0002 Å
• c: 14.5549 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5772.23 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.0924
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No