Information card for entry 7015375

Structure parameters

• Formula: C50 H46 O2 P2 Ru
• Calculated formula: C50 H46 O2 P2 Ru
• SMILES: [Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)C1=CCC(C1OC)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Facile oxygenation reactions of ruthenium acetylide complex containing substituted olefinic group.
• Authors of publication: Yang, Hsuan; Chung, Chia-Pei; Lin, Ying-Chih; Liu, Yi-Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3703 - 3710
• a: 9.7453 ± 0.0002 Å
• b: 9.8887 ± 0.0002 Å
• c: 21.9565 ± 0.0003 Å
• α: 102.05 ± 0.001°
• β: 96.64 ± 0.001°
• γ: 101.361 ± 0.002°
• Cell volume: 2001.45 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No