Information card for entry 1552031

Structure parameters

• Formula: C67.5 H60 B Cl5.5 F4 O2 Os P3 S
• Calculated formula: C67.5 H60 B Cl5.5 F4 O2 Os P3 S
• Title of publication: Stabilization of anti-aromatic and strained five-membered rings with a transition metal
• Authors of publication: Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia
• Journal of publication: Nature Chemistry
• Year of publication: 2013
• Journal volume: 5
• Pages of publication: 698 - 703
• a: 13.501 ± 0.0003 Å
• b: 11.592 ± 0.0003 Å
• c: 41.963 ± 0.001 Å
• α: 90°
• β: 93.416 ± 0.002°
• γ: 90°
• Cell volume: 6555.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No