Information card for entry 1551895

Structure parameters

• Formula: C64 H54 Cl F3 N2 O4 Os P4 S
• Calculated formula: C64 H54 Cl F3 N2 O4 Os P4 S
• SMILES: [Os]12(Cl)([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)C1=CC(O)(c2[n+]1cccc2)c1ncccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes
• Authors of publication: Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen
• Journal of publication: Faraday Discussions
• Year of publication: 2019
• a: 11.2054 ± 0.0003 Å
• b: 28.504 ± 0.0008 Å
• c: 18.0588 ± 0.0005 Å
• α: 90°
• β: 91.329 ± 0.001°
• γ: 90°
• Cell volume: 5766.4 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No