Information card for entry 4072910

Structure parameters

• Formula: C39 H36 Cl N2 Os P
• Calculated formula: C39 H36 Cl N2 Os P
• SMILES: [Os]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([n]4ccccc4C=C1)[n]1ccccc1[CH]2=[CH2]3.c1(ccccc1)C
• 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: 9.9664 ± 0.0012 Å
• b: 10.2744 ± 0.0013 Å
• c: 16.463 ± 0.002 Å
• α: 82.292 ± 0.002°
• β: 82.888 ± 0.002°
• γ: 74.077 ± 0.002°
• Cell volume: 1599.8 ± 0.3 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: 0.0468
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No