Information card for entry 4303709

Structure parameters

• Formula: C36 H42 Br2 N4 Rh2
• Calculated formula: C36 H42 Br2 N4 Rh2
• SMILES: [Rh]123(Br)([CH]4=[CH]3CC[CH]2=[CH]1CC4)=C1N(c2nc3c(cc2)c(C)cc(C)[n]3[Rh]234(Br)[CH]5CC[CH]3=[CH]4CC[CH]2=5)C=CN1Cc1ccccc1
• 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: 10.418 ± 0.0013 Å
• b: 13.232 ± 0.0017 Å
• c: 13.9807 ± 0.0017 Å
• α: 105.89 ± 0.002°
• β: 100.108 ± 0.002°
• γ: 110.761 ± 0.002°
• Cell volume: 1651.7 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No