Information card for entry 1553115

Structure parameters

• Formula: C50 H43 B Cl5 F4 N3 O Os P
• Calculated formula: C50 H44 B Cl5 F4 N3 O Os P
• SMILES: [Os]1234([NH]=C(C5(c6ccccc6)C(=C[CH]2=[C]45[P+](c2ccccc2)(c2ccccc12)c1ccccc1)c1ccc(OC)cc1)C)(Cl)[n]1c(c2[n]3cccc2)cccc1.ClCCl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Reactions of osmapyridinium with terminal alkynes
• Authors of publication: Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 560
• a: 12.0746 ± 0.0003 Å
• b: 18.8448 ± 0.0003 Å
• c: 20.9677 ± 0.0004 Å
• α: 90°
• β: 90.023 ± 0.001°
• γ: 90°
• Cell volume: 4771.06 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No