Information card for entry 4330565

Structure parameters

• Formula: C44 H40 Cl3 F6 N6 P2 Rh
• Calculated formula: C44 H40 Cl3 F6 N6 P2 Rh
• SMILES: [Rh]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(N(c3c(n4[n]1ccc4)cc(cc3)C)c1c(n3[n]2ccc3)cc(cc1)C)[n]1ccccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• 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: 36.8996 ± 0.0006 Å
• b: 10.0698 ± 0.0002 Å
• c: 25.2397 ± 0.0005 Å
• α: 90°
• β: 111.295 ± 0.001°
• γ: 90°
• Cell volume: 8738 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No