Information card for entry 4307256

Structure parameters

• Chemical name: μ-(2,2'-Bis(diphenylphosphinophenyl)ether)bis(η^6^-(1- i-propyl-4-methylbenzene)dichlororuthenium(II))
• Formula: C56 H56 Cl4 O P2 Ru2
• Calculated formula: C56 H56 Cl4 O P2 Ru2
• SMILES: O(c1c([P](c2ccccc2)([Ru]23456([c]7([cH]6[cH]5[c]4([cH]3[cH]27)C(C)C)C)(Cl)Cl)c2ccccc2)cccc1)c1c([P](c2ccccc2)([Ru]23456([c]7([cH]6[cH]5[c]4([cH]3[cH]27)C(C)C)C)(Cl)Cl)c2ccccc2)cccc1
• 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: 22.863 ± 0.002 Å
• b: 15.076 ± 0.001 Å
• c: 14.352 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4946.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No