Information card for entry 4085570

Structure parameters

• Formula: C32 H39 Cl4 O Os P Si2
• Calculated formula: C32 H39 Cl4 O Os P Si2
• SMILES: [Os]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([c]5(Cl)[c]1([c]2([c]3([Si](C)(C)C)[cH]45)C)[Si](C)(C)C)C#[O].C(Cl)Cl
• Title of publication: Rearrangement of Metallabenzynes to Chlorocyclopentadienyl Complexes
• Authors of publication: Chen, Jiangxi; Lee, Ka-Ho; Wen, Tingbin; Gao, Feng; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 890
• a: 12.2527 ± 0.0003 Å
• b: 12.6046 ± 0.0004 Å
• c: 12.9976 ± 0.0004 Å
• α: 80.454 ± 0.003°
• β: 85.67 ± 0.002°
• γ: 63.066 ± 0.003°
• Cell volume: 1764.83 ± 0.1 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No