Information card for entry 1549565

Structure parameters

• Formula: C49 H46 Cl4 Os P2 Si
• Calculated formula: C49 H46 Cl4 Os P2 Si
• SMILES: [Os]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)=C=C([Si](C)(C)C)c2c(C=1)cccc2.ClCCl
• Title of publication: Facile synthesis of polycyclic metallaarynes.
• Authors of publication: Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 27
• Pages of publication: 5994 - 5998
• a: 11.60758 ± 0.00019 Å
• b: 16.9798 ± 0.0003 Å
• c: 22.4892 ± 0.0004 Å
• α: 90°
• β: 94.829 ± 0.0015°
• γ: 90°
• Cell volume: 4416.76 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No