Information card for entry 1513791

Structure parameters

• Formula: C70 H66 Cl6 O4 Os P3 S
• Calculated formula: C70 H66 Cl6 O4 Os P3 S
• Title of publication: Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.
• Authors of publication: Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping
• Journal of publication: Nature communications
• Year of publication: 2014
• Journal volume: 5
• Pages of publication: 3265
• a: 23.9712 ± 0.0005 Å
• b: 10.7966 ± 0.0003 Å
• c: 25.4621 ± 0.0005 Å
• α: 90°
• β: 95.78 ± 0.002°
• γ: 90°
• Cell volume: 6556.3 ± 0.3 ų
• Cell temperature: 142.9 K
• Ambient diffraction temperature: 142.9 K
• Number of distinct elements: 7
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No