Information card for entry 1551897

Structure parameters

• Formula: C60 H53 Cl6 N O5 Os P4
• Calculated formula: C60 H53 Cl6 N O5 Os P4
• SMILES: C12=CC(=[O][Os]32([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]3(c1ccccc1)c1ccccc1)Cl)c1ccccn1.ClCCl.O=Cl(=O)(=O)[O-].C(Cl)Cl
• 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: 11.803 ± 0.0002 Å
• b: 16.4826 ± 0.0003 Å
• c: 15.1932 ± 0.0002 Å
• α: 90°
• β: 96.418 ± 0.001°
• γ: 90°
• Cell volume: 2937.22 ± 0.08 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No