Information card for entry 4507173

Structure parameters

• Formula: C50 H46 Co N7 O12
• Calculated formula: C50 H46 Co N7 O12
• SMILES: C(=O)(c1cccc(c1)N1C(=O)c2cccc3C(=O)N(c4cccc(c4)C(=O)O)[Co]451([n]23)N(c1cccc(C(=O)O)c1)C(=O)c1cccc(C(=O)N5c2cccc(c2)C(=O)O)[n]41)O.C(C)[N+](CC)(CC)CC
• 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: 15.4107 ± 0.0008 Å
• b: 19.9408 ± 0.0009 Å
• c: 16.008 ± 0.0007 Å
• α: 90°
• β: 93.073 ± 0.005°
• γ: 90°
• Cell volume: 4912.2 ± 0.4 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: 0.0717
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No