Information card for entry 4507175

Structure parameters

• Formula: C42 H28 Co N6 O15
• Calculated formula: C42 H28 Co N6 O15
• SMILES: C(=O)(c1cc(ccc1)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.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: 9.151 ± 0.005 Å
• b: 15.215 ± 0.005 Å
• c: 15.957 ± 0.005 Å
• α: 106.78 ± 0.005°
• β: 96.311 ± 0.005°
• γ: 105.69 ± 0.005°
• Cell volume: 2004.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2172
• Residual factor for significantly intense reflections: 0.1386
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No