Information card for entry 2217588

Structure parameters

• Chemical name: <i>trans</i>-Carbonyl[dihydrobis(1,2,4-triazol-1-yl- κ<i>N</i>^2^)borato]hydridobis(triphenylphosphine-κ<i>P</i>)ruthenium(II) acetonitrile solvate
• Formula: C43 H40 B N7 O P2 Ru
• Calculated formula: C43 H40 B N7 O P2 Ru
• SMILES: [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2[n](cnc2)[BH2][n]2[n]1cnc2)C#[O].N#CC
• Title of publication: <i>trans</i>-Carbonyl[dihydrobis(1,2,4-triazol-1-yl-κ<i>N</i>^2^)borato]hydridobis(triphenylphosphine-κ<i>P</i>)ruthenium(II) acetonitrile solvate
• Authors of publication: Huh, Seong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m290 - m290
• a: 9.0733 ± 0.0001 Å
• b: 11.8032 ± 0.0003 Å
• c: 20.2609 ± 0.0006 Å
• α: 74.438 ± 0.011°
• β: 89.552 ± 0.015°
• γ: 70.731 ± 0.014°
• Cell volume: 1965.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes