Information card for entry 7010099

Structure parameters

• Formula: C22 H33 Cl Co N6 O4 S2
• Calculated formula: C22 H33 Cl 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: 9.981 ± 0.002 Å
• b: 15.61 ± 0.004 Å
• c: 8.943 ± 0.002 Å
• α: 100.06 ± 0.02°
• β: 93.74 ± 0.02°
• γ: 100.16 ± 0.02°
• Cell volume: 1343.8 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No