Information card for entry 4300022

Structure parameters

• Formula: C23 H41 B N6 P Rh
• Calculated formula: C23 H41 B N6 P Rh
• SMILES: [Rh]123([CH2]=[CH2]1)([P](CC)(CC)CC)[n]1[n]([BH]([n]4[n]2c(cc4C)C)[n]2[n]3c(cc2C)C)c(cc1C)C
• Title of publication: Substitution and Hydrogenation Reactions on Rhodium(I)-Ethylene Complexes of the Hydrotris(pyrazolyl)borate Ligands Tp' (Tp' = Tp, TpMe2)
• Authors of publication: M. Carmen Nicasio; Margarita Paneque; Pedro J. Pérez; Antonio Pizarro; Manuel L. Poveda; Luis Rey; Sabine Sirol; Soraya Taboada; Marianela Trujillo; Angeles Monge; Caridad Ruiz; Ernesto Carmona
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 180 - 188
• a: 19.6385 ± 0.0012 Å
• b: 16.3298 ± 0.001 Å
• c: 19.3328 ± 0.0012 Å
• α: 90°
• β: 118.908 ± 0.001°
• γ: 90°
• Cell volume: 5427.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1311
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections: 0.1366
• Weighted residual factors for significantly intense reflections: 0.1151
• Goodness-of-fit parameter for all reflections: 0.898
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No