Information card for entry 4331709

Structure parameters

• Formula: C53 H44 Cl8 N3 P3 Ru
• Calculated formula: C53 H44 Cl8 N3 P3 Ru
• SMILES: [Ru]12(Cl)([P](c3ncccc3)(c3ccccc3)c3ccccc3)([P](c3[n]1cccc3)(c1ccccc1)c1ccccc1)[P](c1[n]2cccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand
• Authors of publication: Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3369 - 3377
• a: 11.781 ± 0.002 Å
• b: 15.449 ± 0.003 Å
• c: 17.961 ± 0.004 Å
• α: 67.72 ± 0.03°
• β: 85.64 ± 0.03°
• γ: 76.35 ± 0.03°
• Cell volume: 2939.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No