Information card for entry 2229939

Structure parameters

• Chemical name: [1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']chlorido(η^5^- indenyl)ruthenium(II)
• Formula: C37 H35 Cl P2 Ru
• Calculated formula: C37 H35 Cl P2 Ru
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CCCC[P](c2ccccc2)(c2ccccc2)[Ru]23451([c]16[c]5([cH]4[cH]3[cH]21)cccc6)Cl
• Title of publication: [1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']chlorido(η^5^-indenyl)ruthenium(II)
• Authors of publication: Sung, Hui-Ling; Her, Tze-Min; Su, Wen-Hsien; Cheng, Chin-Pao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m641
• a: 12.6567 ± 0.0002 Å
• b: 15.7502 ± 0.0003 Å
• c: 15.9419 ± 0.0003 Å
• α: 90°
• β: 103.165 ± 0.001°
• γ: 90°
• Cell volume: 3094.42 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes