Information card for entry 2238846

Structure parameters

• Chemical name: Chlorido(η^6^-<i>N</i>^2^-diphenylphosphanyl-<i>N</i>^1^,<i>N</i>^1^-diisopropyl-4-methoxybenzamidine-κ<i>P</i>)(triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethansulfonate acetone disolvate
• Formula: C51 H58 Cl F3 N2 O6 P2 Ru S
• Calculated formula: C51 H58 Cl F3 N2 O6 P2 Ru S
• SMILES: C1(=N[P](c2ccccc2)(c2ccccc2)[Ru]23456([c]71[cH]2[cH]3[c]4([cH]5[cH]67)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)N(C(C)C)C(C)C.C(S(=O)(=O)[O-])(F)(F)F.C(=O)(C)C.C(=O)(C)C
• Title of publication: Chlorido(η^6^-<i>N</i>^2^-diphenylphosphanyl-<i>N</i>^1^,<i>N</i>^1^-diisopropyl-4-methoxybenzamidine-κ<i>P</i>)(triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethansulfonate acetone disolvate
• Authors of publication: Kéchaou-Perrot, Manel; Vendier, Laure; Igau, Alain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m659 - m660
• a: 11.697 ± 0.0002 Å
• b: 15.026 ± 0.0003 Å
• c: 29.777 ± 0.0006 Å
• α: 90°
• β: 99.864 ± 0.002°
• γ: 90°
• Cell volume: 5156.21 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No