Information card for entry 2225211

Structure parameters

• Chemical name: [(1<i>R</i>)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-κ^2^<i>O</i>,<i>O</i>']chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)
• Formula: C27 H33 Cl O2 Ru
• Calculated formula: C27 H33 Cl O2 Ru
• SMILES: [Ru]123456(OC(=C7C(=[O]1)[C@]1(C([C@@H]7CC1)(C)C)C)c1ccccc1)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[Ru]123456([O]=C7C(=C(O1)c1ccccc1)[C@H]1CC[C@@]7(C1(C)C)C)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
• Title of publication: [(1<i>R</i>)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-κ^2^<i>O</i>,<i>O</i>']chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)
• Authors of publication: Harrad, Mohamed Anouar; Valerga, Pedro; Puerta, M. Carmen; Ali, Mustapha Ait; El Firdoussi, Larbi; Karim, Abdellah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m281
• a: 9.833 ± 0.002 Å
• b: 10.572 ± 0.002 Å
• c: 12.785 ± 0.003 Å
• α: 108.13 ± 0.03°
• β: 97.62 ± 0.03°
• γ: 102.54 ± 0.03°
• Cell volume: 1203.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes