Information card for entry 4112472

Structure parameters

• Formula: C54 H86 Cl2 N2 P4 Rh2
• Calculated formula: C54 H83 Cl2 N2 P4 Rh2
• SMILES: [P]1(c2c(ccc(c2)C)N2c3c([P](C(C)C)(C(C)C)[Rh]12(C)Cl)cc(cc3)C)(C(C)C)C(C)C.[P]1(c2c(ccc(c2)C)[N]2(c3ccc(cc3[P](C(C)C)(C(C)C)[Rh]12Cl)C)C)(C(C)C)C(C)C
• Title of publication: Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium
• Authors of publication: Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4792 - 4793
• a: 13.339 ± 0.002 Å
• b: 13.873 ± 0.002 Å
• c: 32.296 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5976.4 ± 1.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2245
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections: 0.1332
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1685
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No