Information card for entry 1551896

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](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(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: 11.215 ± 0.0006 Å
• b: 28.5467 ± 0.0012 Å
• c: 18.0657 ± 0.0007 Å
• α: 90°
• β: 91.401 ± 0.002°
• γ: 90°
• Cell volume: 5782 ± 0.5 ų
• Cell temperature: 233 ± 0.2 K
• Ambient diffraction temperature: 233 ± 0.2 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: 0.0392
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No