Information card for entry 2226514

Structure parameters

• Chemical name: Azido(benzonitrile-κ<i>N</i>)[hydridotris(pyrazol-1-yl- κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II)
• Formula: C34 H30 B N10 P Ru
• Calculated formula: C34 H30 B N10 P Ru
• SMILES: [BH]12n3ccc[n]3[Ru]([n]3cccn13)([n]1cccn21)([N]#Cc1ccccc1)(N=N#N)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Azido(benzonitrile-κ<i>N</i>)[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II)
• Authors of publication: Huang, Chiung-Cheng; Chen, Han-Gung; Lo, Yih Hsing; Lai, Wen-Rong; Lin, Chia-Her
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m864
• a: 11.1888 ± 0.0002 Å
• b: 16.2588 ± 0.0003 Å
• c: 18.9944 ± 0.0004 Å
• α: 109.588 ± 0.001°
• β: 91.93 ± 0.001°
• γ: 90.823 ± 0.001°
• Cell volume: 3252.37 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes