Information card for entry 2205953

Structure parameters

• Chemical name: Dichlorotris(triphenylphosphine)ruthenium(II) dichloromethane hemisolvate
• Formula: C54.5 H46 Cl3 P3 Ru
• Calculated formula: C54.5 H46 Cl3 P3 Ru
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Ru]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Dichlorotris(triphenylphosphine)ruthenium(II) dichloromethane hemisolvate
• Authors of publication: Cowley, Andrew R.; Dilworth, Jonathan R.; Maresca von Beckh W., Carlo A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1237 - m1239
• a: 22.2083 ± 0.0002 Å
• b: 12.8446 ± 0.0001 Å
• c: 33.9272 ± 0.0005 Å
• α: 90°
• β: 107.568 ± 0.0005°
• γ: 90°
• Cell volume: 9226.57 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0825
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No