Information card for entry 7030269

Structure parameters

• Formula: C27 H33 Cl2 P Ru
• Calculated formula: C27 H33 Cl2 P Ru
• SMILES: [Ru]123456([c]7([cH]1[cH]2[cH]3[cH]4[cH]57)C1=C(c2c(C1)cccc2)[P]6(C1CCCCC1)C1CCCCC1)(Cl)Cl
• Title of publication: Phenyl substituted indenylphosphine ruthenium complexes as catalysts for dehydrogenation of alcohols.
• Authors of publication: Yuan, Jia; Sun, Yue; Yu, Guang-Ao; Zhao, Cui; She, Neng-Fang; Mao, Shu-Lan; Huang, Peng-Shou; Han, Zhi-Jun; Yin, Jun; Liu, Sheng-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10309 - 10316
• a: 16.7462 ± 0.0013 Å
• b: 9.5164 ± 0.0007 Å
• c: 36.246 ± 0.003 Å
• α: 90°
• β: 92.814 ± 0.001°
• γ: 90°
• Cell volume: 5769.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0971
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No