Information card for entry 2236836

Structure parameters

• Chemical name: (η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate
• Formula: C33 H42 Cl2 P Ru
• Calculated formula: C33 H42 Cl2 P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456(Cl)([P](C1CCCCC1)(c1ccccc1)C1CCCCC1)Cl.c1ccccc1.c1ccccc1
• Title of publication: (η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate
• Authors of publication: Muller, Alfred; Davis, Wade L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1446 - m1447
• a: 10.0893 ± 0.0008 Å
• b: 10.8325 ± 0.0009 Å
• c: 14.4937 ± 0.0012 Å
• α: 90.346 ± 0.002°
• β: 91.748 ± 0.001°
• γ: 106.979 ± 0.001°
• Cell volume: 1514.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes