Information card for entry 2236517

Structure parameters

• Chemical name: [Hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methylamino-<i>N</i>k) (triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane solvate monohydrate
• Formula: C30 H39 B Cl3 N8 O P Ru
• Calculated formula: C30 H39 B Cl3 N8 O P Ru
• SMILES: c1ccn2[n]1[Ru]1([n]3cccn3[BH]2n2ccc[n]12)([NH2]C)([NH2]C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[Cl-].O
• Title of publication: [Hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methylamino-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane solvate monohydrate
• Authors of publication: Lin, Yi-Dong; Chang, Chin-Pei; Huang, Quan-Sheng; Lo, Yih-Hsing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1346
• a: 12.3791 ± 0.0008 Å
• b: 13.1285 ± 0.0009 Å
• c: 21.5723 ± 0.0015 Å
• α: 90°
• β: 97.405 ± 0.004°
• γ: 90°
• Cell volume: 3476.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.1812
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes