Information card for entry 4077060

Structure parameters

• Formula: C39 H35 Cl P2 Ru
• Calculated formula: C39 H35 Cl P2 Ru
• SMILES: [Ru]12345([P](Cc6c2c(ccc6)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[CH]1C2[CH]3=[CH]4C([CH]5=1)C2
• Title of publication: Synthesis and Protonation of [RuH(NBD)(2,6-(Ph2PCH2)2C6H3)]
• Authors of publication: Liu, Sheng Hua; Ng, Sze Ming; Wen, Ting Bin; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak Po; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4281
• a: 11.923 ± 0.002 Å
• b: 13.351 ± 0.003 Å
• c: 20.299 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3231.3 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No