Information card for entry 4077062

Structure parameters

• Formula: C42 H38 F3 N O3 P2 Ru S
• Calculated formula: C42 H38 F3 N O3 P2 Ru S
• SMILES: [Ru]12345([P](Cc6c2c(ccc6)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)[CH]1=[CH]3C2[CH]4=[CH]5C1C2.S(=O)(=O)([O-])C(F)(F)F
• 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: 15.318 ± 0.003 Å
• b: 14.45 ± 0.002 Å
• c: 17.763 ± 0.003 Å
• α: 90°
• β: 104.142 ± 0.003°
• γ: 90°
• Cell volume: 3812.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No