Information card for entry 7004688

Structure parameters

• Formula: C20 H36 Co P3 S
• Calculated formula: C20 H36 Co P3 S
• SMILES: C[Co]1(c2cccc3cccc(c23)S1)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Four- and five-membered cobaltacycles by regioselective cyclometallation of benzyl sulfide derivatives via Co(v) intermediates
• Authors of publication: Beck, Robert; Frey, Markus; Camadanli, Sebnem; Klein, Hans-Friedrich
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 4981 - 4983
• a: 9.2185 ± 0.0014 Å
• b: 9.42 ± 0.0008 Å
• c: 26.563 ± 0.004 Å
• α: 90°
• β: 90.653 ± 0.012°
• γ: 90°
• Cell volume: 2306.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No