Information card for entry 4088438

Structure parameters

• Formula: C62.5 H54 Cl5 O Os P3 S
• Calculated formula: C62.5 H54 Cl5 O Os P3 S
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(c2cccs2)[OH]1)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes
• Authors of publication: Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1497
• a: 13.178 ± 0.0003 Å
• b: 21.3377 ± 0.0003 Å
• c: 21.0918 ± 0.0004 Å
• α: 90°
• β: 102.265 ± 0.002°
• γ: 90°
• Cell volume: 5795.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No