Information card for entry 2208339

Structure parameters

• Chemical name: Dichloro(4,4'-di-tert-butyl-2,2'-bipyridine-κ^2^N,N)bis(triphenylphosphine- κP)ruthenium(II) dichloromethane solvate
• Formula: C55 H56 Cl4 N2 P2 Ru
• Calculated formula: C55 H56 Cl4 N2 P2 Ru
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(Cl)[n]2c(cc(cc2)C(C)(C)C)c2[n]1ccc(c2)C(C)(C)C.C(Cl)Cl
• Title of publication: Dichloro(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>)bis(triphenylphosphine-κ<i>P</i>)ruthenium(II) dichloromethane solvate
• Authors of publication: Yan-Wei Song; Zhan Yu; Qian-Feng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m520 - m522
• a: 11.9856 ± 0.0007 Å
• b: 28.2762 ± 0.0016 Å
• c: 15.1591 ± 0.0009 Å
• α: 90°
• β: 103.034 ± 0.001°
• γ: 90°
• Cell volume: 5005.2 ± 0.5 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: 0.079
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes