Information card for entry 4307259

Structure parameters

• Chemical name: cis-Dichloro[bis(2-diphenylphosphinophenyl)ether- κP:κP'](2,2'-bipyridyl-κN:κN')ruthenium(II) Dichloromethane solvate
• Formula: C47 H38 Cl4 N2 O P2 Ru
• Calculated formula: C47 H38 Cl4 N2 O P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)[n]1c(c3[n]2cccc3)cccc1.C(Cl)Cl
• Title of publication: Ruthenium(II) Complexes Containing Bis(2-(diphenylphosphino)phenyl) Ether and Their Catalytic Activity in Hydrogenation Reactions
• Authors of publication: Ramalingam Venkateswaran; Joel T. Mague; Maravanji S. Balakrishna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 809 - 817
• a: 26.076 ± 0.003 Å
• b: 9.732 ± 0.001 Å
• c: 33.932 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8611 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2511
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No