Information card for entry 7020815

Structure parameters

• Formula: C50 H40 Cl2 P4 Ru
• Calculated formula: C50 H40 Cl2 P4 Ru
• SMILES: c12c(c3c([P]41C[P]([Ru]14(Cl)([P]4(c5c(c6c4cccc6)cccc5)C[P]1(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1)cccc3)cccc2
• Title of publication: Novel phospholyl(diphenylphosphino)methane-ruthenium complexes: unexpected non-assisted cis to trans isomerization of [RuCl2(κ(2)-P-P')2].
• Authors of publication: Nguyen, Duc Hanh; Daran, Jean-Claude; Mallet-Ladeira, Sonia; Davin, Thomas; Maron, Laurent; Urrutigoïty, Martine; Kalck, Philippe; Gouygou, Maryse
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 75 - 81
• a: 10.0456 ± 0.0003 Å
• b: 10.8211 ± 0.0004 Å
• c: 11.5003 ± 0.0004 Å
• α: 103.09 ± 0.003°
• β: 94.498 ± 0.003°
• γ: 117.213 ± 0.004°
• Cell volume: 1058.7 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No