Information card for entry 2239652

Structure parameters

• Chemical name: (η^6^-Benzene)dichlorido(chlorodicyclohexylphosphane-κ<i>P</i>)ruthenium(II) chloroform monosolvate
• Formula: C19 H29 Cl6 P Ru
• Calculated formula: C19 H29 Cl6 P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456(Cl)(Cl)[P](C1CCCCC1)(C1CCCCC1)Cl.C(Cl)(Cl)Cl
• Title of publication: (η^6^-Benzene)dichlorido(chlorodicyclohexylphosphane-κ<i>P</i>)ruthenium(II) chloroform monosolvate
• Authors of publication: Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m255
• a: 7.9717 ± 0.0001 Å
• b: 16.302 ± 0.0002 Å
• c: 18.0602 ± 0.0003 Å
• α: 90°
• β: 91.244 ± 0.001°
• γ: 90°
• Cell volume: 2346.45 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.025
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes