Information card for entry 2237053

Structure parameters

• Chemical name: [(<i>R</i>)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl- κ^2^<i>P</i>,<i>P</i>']{2-[(2<i>R</i>)-1,2-diamino-1-(4-methoxyphenyl)- 3-methylbutyl]-5-methoxyphenyl-κ<i>C</i>^1^}hydridoruthenium(II) benzene monosolvate
• Formula: C69 H64 N2 O2 P2 Ru
• Calculated formula: C69 H64 N2 O2 P2 Ru
• SMILES: [RuH]123([P](c4c(c5c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc51)c1c(cc4)cccc1)(c1ccccc1)c1ccccc1)[NH2][C@@H]([C@@]([NH2]2)(c1ccc(OC)cc31)c1ccc(OC)cc1)C(C)C.c1ccccc1
• Title of publication: [(<i>R</i>)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']{2-[(2<i>R</i>)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]-5-methoxyphenyl-κ<i>C</i>^1^}hydridoruthenium(II) benzene monosolvate
• Authors of publication: Abdur-Rashid, Kamaluddin; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1486 - m1487
• a: 38.8848 ± 0.0008 Å
• b: 13.5741 ± 0.0003 Å
• c: 10.8871 ± 0.0002 Å
• α: 90°
• β: 103.967 ± 0.001°
• γ: 90°
• Cell volume: 5576.6 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes