Information card for entry 4077061

Structure parameters

• Formula: C52 H45 O2 P3 Ru
• Calculated formula: C52 H45 O2 P3 Ru
• SMILES: [Ru]123([P](Cc4c3c(ccc4)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[O]=C(O2)C
• 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: 10.6517 ± 0.0016 Å
• b: 11.051 ± 0.0016 Å
• c: 19.997 ± 0.003 Å
• α: 89.891 ± 0.003°
• β: 78.283 ± 0.003°
• γ: 71.252 ± 0.003°
• Cell volume: 2177.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No