Information card for entry 4072911

Structure parameters

• Formula: C52 H47 B Cl4 F4 N2 Os P2
• Calculated formula: C52 H47 B Cl4 F4 N2 Os P2
• SMILES: [Os]123(C=Cc4[n]1cccc4)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1[CH]2=[CH2]3.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 11.4371 ± 0.0007 Å
• b: 13.5518 ± 0.0008 Å
• c: 16.7303 ± 0.001 Å
• α: 73.118 ± 0.001°
• β: 78.738 ± 0.001°
• γ: 74.774 ± 0.001°
• Cell volume: 2374.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No