Information card for entry 7044416

Structure parameters

• Formula: C16 H22 Co N4 O3 S2
• Calculated formula: C16 H22 Co N4 O3 S2
• Title of publication: Cooperative Influence of Pseudohalides and Ligand Backbone of Schiff-bases on Nuclearity and Stereochemistry of Cobalt(III) Complexes: Experimental and Theoretical Investigation
• Authors of publication: Das, Debasis; Mandal, Arnab; Dasgupta, Sanchari; Ganguly, Sumi; Bauza, Antonio; Frontera, Antonio
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.3859 ± 0.0008 Å
• b: 11.444 ± 0.0011 Å
• c: 11.5557 ± 0.0012 Å
• α: 65.724 ± 0.003°
• β: 84.537 ± 0.003°
• γ: 78.011 ± 0.003°
• Cell volume: 988.81 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No