Information card for entry 4072909

Structure parameters

• Formula: C32 H28 Cl N2 P Ru
• Calculated formula: C32 H28 Cl N2 P Ru
• SMILES: [Ru]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([n]4c(cccc4)C=C1)[n]1c(cccc1)[CH]2=[CH2]3
• Title of publication: Cyclometalation of 2-Vinylpyridine with MCl2(PPh3)3and MHCl(PPh3)3(M = Ru, Os)
• Authors of publication: Zhang, Li; Dang, Li; Wen, Ting Bin; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 2849
• a: 9.3139 ± 0.0011 Å
• b: 14.6492 ± 0.0018 Å
• c: 19.876 ± 0.002 Å
• α: 99.525 ± 0.002°
• β: 97.661 ± 0.002°
• γ: 91.188 ± 0.002°
• Cell volume: 2648.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No