Information card for entry 2220285

Structure parameters

• Chemical name: (Dithiobenzoato-κ^2^<i>S</i>,<i>S</i>')[hydridotris(pyrazol-1-yl-\ κN^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II)
• Formula: C34 H30 B N6 P Ru S2
• Calculated formula: C34 H30 B N6 P Ru S2
• SMILES: [BH]12n3ccc[n]3[Ru]3([n]4cccn14)([n]1cccn21)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C(c1ccccc1)S3
• Title of publication: (Dithiobenzoato-κ^2^<i>S</i>,<i>S</i>')[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II)
• Authors of publication: Lin, Chia-Her; Liang, Yao-Ren; Tong, Hung-Chun; Lo, Yih Hsing; Kuo, Ting Shen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1535
• a: 12.8915 ± 0.0013 Å
• b: 18.394 ± 0.002 Å
• c: 13.5174 ± 0.0016 Å
• α: 90°
• β: 96.591 ± 0.005°
• γ: 90°
• Cell volume: 3184.1 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes