Information card for entry 7044415

Structure parameters

• Formula: C15 H19 Co N4 O3 S2
• Calculated formula: C15 H19 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: 10.088 ± 0.003 Å
• b: 12.859 ± 0.003 Å
• c: 14.791 ± 0.004 Å
• α: 90°
• β: 94.505 ± 0.003°
• γ: 90°
• Cell volume: 1912.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No