Information card for entry 1570307

Structure parameters

• Chemical name: <i>trans</i>-Bis[bis(diphenylphosphanyl)methane-κ^2^<i>P</i>,<i>P</i>']dichloridoruthenium(II)
• Formula: C50 H44 Cl2 P4 Ru
• Calculated formula: C50 H44 Cl2 P4 Ru
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Ru]12(Cl)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)Cl
• Title of publication: trans-Bis[bis(diphenylphosphanyl)methane-κ2 P,P′]dichloridoruthenium(II): a triclinic polymorph
• Authors of publication: Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 11
• Pages of publication: x230984
• a: 10.261 ± 0.005 Å
• b: 11.243 ± 0.005 Å
• c: 20.198 ± 0.009 Å
• α: 84.857 ± 0.015°
• β: 87.185 ± 0.016°
• γ: 72.525 ± 0.015°
• Cell volume: 2213 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No