Information card for entry 7004687

Structure parameters

• Formula: C16 H34 Co P3 S
• Calculated formula: C16 H34 Co P3 S
• SMILES: c12c(cccc1)S[Co]2(C)([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: 12.3187 ± 0.0011 Å
• b: 12.7608 ± 0.0012 Å
• c: 26.99 ± 0.003 Å
• α: 90 ± 0.008°
• β: 90 ± 0.008°
• γ: 90 ± 0.007°
• Cell volume: 4242.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No