Information card for entry 4330559

Structure parameters

• Formula: C28 H38 Cl3 N6 Rh
• Calculated formula: C28 H38 Cl3 N6 Rh
• SMILES: [Rh]12(Cl)(Cl)(Cl)N(c3c(n4[n]1ccc4)cc(cc3)C)c1c(n3[n]2ccc3)cc(cc1)C.[N+](CC)(CC)(CC)CC
• Title of publication: Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand
• Authors of publication: Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10572 - 10580
• a: 20.0852 ± 0.0002 Å
• b: 20.0852 ± 0.0002 Å
• c: 14.8181 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5977.85 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0146
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No