Information card for entry 4331707

Structure parameters

• Formula: C34 H28 Cl3 N2 P2 Ru
• Calculated formula: C34 H28 Cl3 N2 P2 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([P](c2[n]1cccc2)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ncccc1)c1ccccc1
• 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: 9.046 ± 0.002 Å
• b: 21.331 ± 0.004 Å
• c: 16.04 ± 0.003 Å
• α: 90°
• β: 90.21 ± 0.03°
• γ: 90°
• Cell volume: 3095.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No