Information card for entry 2200292

Structure parameters

• Chemical name: Trans-dichlorobis(3,5-dimethylpyrazole-N)bis(triphenylphosphine-P)- ruthenium(II)
• Formula: C46 H44 Cl2 N4 P2 Ru
• Calculated formula: C46 H44 Cl2 N4 P2 Ru
• SMILES: [Ru](n1nc(cc1C)C)(n1nc(cc1C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: <i>trans</i>-Dichlorobis(3,5-dimethylpyrazole-<i>N</i>)bis(triphenylphosphine-<i>P</i>)ruthenium(II)
• Authors of publication: Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Qian-Feng Zhang; Xinquan Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: m207 - m208
• a: 11.6466 ± 0.0002 Å
• b: 17.1438 ± 0.0003 Å
• c: 10.5361 ± 0.0002 Å
• α: 90°
• β: 95.603 ± 0.001°
• γ: 90°
• Cell volume: 2093.66 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.055
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes