Information card for entry 4319062

Structure parameters

• Formula: C36 H31 Cl F6 N8 P Rh
• Calculated formula: C36 H31 Cl F6 N8 P Rh
• SMILES: [Rh]123(Cl)(N(c4ccc(C)cc4)c4ccccc4[N]1=Nc1[n]2cccc1)[n]1ccccc1N=[N]3c1ccc(Nc2ccc(cc2)C)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal-Promoted Aromatic Ring Amination and Deamination Reactions at a Diazo Ligand Coordinated to Rhodium and Ruthenium
• Authors of publication: Chayan Das; Amit K. Ghosh; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 7125 - 7135
• a: 8.9645 ± 0.0008 Å
• b: 12.4699 ± 0.0012 Å
• c: 17.0283 ± 0.0017 Å
• α: 107.483 ± 0.002°
• β: 104.519 ± 0.002°
• γ: 92.834 ± 0.002°
• Cell volume: 1741.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No