Information card for entry 4081834

Structure parameters

• Formula: C8 H9 Cl O2 Ru
• Calculated formula: C8 H9 Cl O2 Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]123456(OC(=[O]1)C)Cl
• Title of publication: Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes
• Authors of publication: Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6186
• a: 10.7036 ± 0.0005 Å
• b: 6.471 ± 0.0003 Å
• c: 13.7388 ± 0.0006 Å
• α: 90°
• β: 111.194 ± 0.001°
• γ: 90°
• Cell volume: 887.23 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No