Information card for entry 7029594

Structure parameters

• Formula: C15 H27 Cl4 Co P3
• Calculated formula: C15 H27 Cl4 Co P3
• SMILES: C[P](C)(C)[Co]1([P](C)(C)C)([P](C)(C)C)c2c1c(Cl)c(Cl)c(Cl)c2Cl
• Title of publication: C-Cl bond activation and catalytic hydrodechlorination of hexachlorobenzene by cobalt and nickel complexes with sodium formate as a reducing agent.
• Authors of publication: Li, Junye; Li, Xiaoyan; Wang, Lin; Hu, Qingping; Sun, Hongjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6660 - 6666
• a: 16.559 ± 0.002 Å
• b: 18.003 ± 0.003 Å
• c: 30.578 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9116 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No