Information card for entry 4303708

Structure parameters

• Formula: C28 H30 Br N4 Rh
• Calculated formula: C28 H30 Br N4 Rh
• SMILES: [Rh]123(Br)([CH]4=[CH]3CC[CH]2=[CH]1CC4)=C1N(Cc3ccccc3)C=CN1c1nc3nc(cc(c3cc1)C)C
• Title of publication: Multifaceted Coordination of Naphthyridine-Functionalized N-Heterocyclic Carbene: A Novel "IrIII(C^N)(C^C)" Compound and Its Evaluation as Transfer Hydrogenation Catalyst
• Authors of publication: Arup Sinha; S. M. Wahidur Rahaman; Mithun Sarkar; Biswajit Saha; Prosenjit Daw; Jitendra K. Bera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11114 - 11122
• a: 6.9091 ± 0.0013 Å
• b: 12.842 ± 0.003 Å
• c: 14.458 ± 0.003 Å
• α: 100.294 ± 0.003°
• β: 94.061 ± 0.003°
• γ: 103.084 ± 0.003°
• Cell volume: 1221.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No