Information card for entry 4330562

Structure parameters

• Formula: C25 H23 Cl2 N6 Rh
• Calculated formula: C25 H23 Cl2 N6 Rh
• SMILES: [Rh]12(Cl)(Cl)(N(c3c(n4[n]1ccc4)cc(cc3)C)c1c(n3[n]2ccc3)cc(cc1)C)[n]1ccccc1
• 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: 9.0391 ± 0.0002 Å
• b: 16.3205 ± 0.0003 Å
• c: 16.2321 ± 0.0003 Å
• α: 90°
• β: 104.998 ± 0.001°
• γ: 90°
• Cell volume: 2313.03 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No