Information card for entry 7010100

Structure parameters

• Formula: C22 H33 Cl2 Co N6 O4 S2
• Calculated formula: C22 H33 Cl2 Co N6 O4 S2
• Title of publication: Syntheses, structure and properties of cobalt-(II) and -(III) complexes of pentadentate N4S ligands with appended pyrazolyl groups: evidence for cobalt(II)‒dioxygen reversible binding
• Authors of publication: Bhattacharyya, Sudeep; Ghosh, Dipesh; Mukhopadhyay, Suman; Jensen, William P.; Tiekink, Edward R. T.; Chaudhury, Muktimoy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4677
• a: 12.86 ± 0.01 Å
• b: 13.13 ± 0.01 Å
• c: 16.01 ± 0.02 Å
• α: 90°
• β: 92.5 ± 0.07°
• γ: 90°
• Cell volume: 2701 ± 4 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 2.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No