Information card for entry 4328323

Structure parameters

• Formula: C20 H29 Cl2 I2 N4 O3 Rh
• Calculated formula: C20 H29 Cl2 I2 N4 O3 Rh
• SMILES: [Rh]12(=C3N(C=CN3C3=CC(=CN(C=13)C)C(=O)N(C(C)C)C(C)C)C)(I)(I)[O]=C(O2)C.C(Cl)Cl
• Title of publication: Rhodium Complexes of a Chelating Ligand with Imidazol-2-ylidene and Pyridin-2-ylidene Donors: The Effect of C-Metalation of Nicotinamide Groups on Uptake of Hydride Ion
• Authors of publication: Alex McSkimming; Graham E. Ball; Mohan M. Bhadbhade; Stephen B. Colbran
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2191 - 2203
• a: 15.7153 ± 0.0011 Å
• b: 13.9863 ± 0.0009 Å
• c: 12.4599 ± 0.0007 Å
• α: 90°
• β: 97.427 ± 0.003°
• γ: 90°
• Cell volume: 2715.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No