Information card for entry 2221448

Structure parameters

• Chemical name: (Benzonitrile-κ<i>N</i>)chlorido[hydridotris(pyrazol-1-yl- κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II) ethanol solvate
• Formula: C36 H36 B Cl N7 O P Ru
• Calculated formula: C36 H36 B Cl N7 O P Ru
• SMILES: [BH]12n3ccc[n]3[Ru](Cl)([n]3cccn13)([n]1cccn21)([N]#Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(C)O
• Title of publication: (Benzonitrile-κ<i>N</i>)chlorido[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II) ethanol solvate
• Authors of publication: Tong, Hung-Chun; Hung, Yu-Chen; Wang, Po-Yo; Lin, Chia-Her; Lo, Yih-Hsing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m438
• a: 8.0008 ± 0.0005 Å
• b: 11.0195 ± 0.0005 Å
• c: 19.4246 ± 0.0011 Å
• α: 83.438 ± 0.004°
• β: 88.726 ± 0.004°
• γ: 88.92 ± 0.004°
• Cell volume: 1700.7 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes