Information card for entry 4507170

Structure parameters

• Formula: C39 H27 Co N6 O11
• Calculated formula: C39 H27 Co N6 O11
• SMILES: C(=O)(c1ccc(cc1)N1C(=O)c2cccc[n]2[Co]231(N(c1ccc(C(=O)O)cc1)C(=O)c1cccc[n]21)N(c1ccc(C(=O)O)cc1)C(=O)c1cccc[n]31)O.O.O
• Title of publication: Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies
• Authors of publication: Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 74
• a: 15.746 ± 0.005 Å
• b: 15.494 ± 0.005 Å
• c: 18.78 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.107 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4462 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No