Information card for entry 7248513

Structure parameters

• Formula: C44 H60 Cl2 Co3 N4 O27
• Calculated formula: C44 H60 Cl2 Co3 N4 O27
• Title of publication: Formation of H-bonding networks in the solid state structure of a trinuclear cobalt(iii/ii/iii) complex with N2O2 donor Schiff base ligand and glutaric acid as bridging co-ligand: synthesis, structure and DFT study
• Authors of publication: Maity, Sovana; Bhunia, Sudip; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 13200 - 13208
• a: 10.4218 ± 0.0004 Å
• b: 10.9812 ± 0.0004 Å
• c: 12.6764 ± 0.0004 Å
• α: 104.684 ± 0.001°
• β: 97.921 ± 0.001°
• γ: 100.105 ± 0.001°
• Cell volume: 1356.04 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No