Information card for entry 4507176

Structure parameters

• Formula: C45 H33 Co N7 O17
• Calculated formula: C45 H33 Co N7 O17
• SMILES: C(=O)(c1ccc(cc1)N1C(=O)c2cccc3C(=O)N(c4ccc(cc4)C(=O)O)[Co]451([n]23)N(c1ccc(C(=O)O)cc1)C(=O)c1cccc(C(=O)N5c2ccc(cc2)C(=O)O)[n]41)O.CN(C)C=O.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: 13.786 ± 0.005 Å
• b: 13.876 ± 0.005 Å
• c: 15.715 ± 0.005 Å
• α: 101.88 ± 0.005°
• β: 92.772 ± 0.005°
• γ: 118.48 ± 0.005°
• Cell volume: 2548 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No