Information card for entry 4307255

Structure parameters

• Chemical name: Chloro(η^5^-cyclopentadienyl)(bis(o-diphenylphosphino phenyl)ether)ruthenium(II)
• Formula: C41 H33 Cl O P2 Ru
• Calculated formula: C41 H33 Cl O P2 Ru
• SMILES: [Ru]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6Oc6ccccc6[P]1(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 10.656 ± 0.001 Å
• b: 19.077 ± 0.002 Å
• c: 16.153 ± 0.002 Å
• α: 90°
• β: 100.617 ± 0.002°
• γ: 90°
• Cell volume: 3227.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No