Information card for entry 2209194

Structure parameters

• Common name: [Ru(Tp)Cl(PPyrl~3~)(DMF)]
• Chemical name: Chloro(dimethylformamide-κO)(hydridotripyrazolylborato)(tripyrrol-1- ylphosphine-κP)ruthenium(II)
• Formula: C24 H29 B Cl N10 O P Ru
• Calculated formula: C24 H29 B Cl N10 O P Ru
• SMILES: [Ru]12(Cl)([n]3[n](ccc3)[BH]([n]3[n]1ccc3)[n]1[n]2ccc1)([P](n1cccc1)(n1cccc1)n1cccc1)[O]=CN(C)C
• Title of publication: Chloro(dimethylformamide-κ<i>O</i>)(hydridotripyrazolylborato)(tripyrrol-1-ylphosphine-κ<i>P</i>)ruthenium(II)
• Authors of publication: Slugovc, Christian; Kirchner, Karl; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1356 - m1358
• a: 10.046 ± 0.002 Å
• b: 22.749 ± 0.004 Å
• c: 12.683 ± 0.002 Å
• α: 90°
• β: 96.78 ± 0.01°
• γ: 90°
• Cell volume: 2878.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes