Information card for entry 4501393

Structure parameters

• Formula: C18 H22 Cu N4 O6
• Calculated formula: C18 H22 Cu N4 O6
• SMILES: [Cu]([n]1ccc(cc1)NC(=O)C)([n]1ccc(cc1)NC(=O)C)(OC(=O)C)OC(=O)C
• Title of publication: Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes
• Authors of publication: Mukherjee, Gargi; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5649
• a: 7.6683 ± 0.0007 Å
• b: 8.5377 ± 0.0008 Å
• c: 8.605 ± 0.0008 Å
• α: 73.392 ± 0.003°
• β: 71.199 ± 0.003°
• γ: 83.191 ± 0.003°
• Cell volume: 510.84 ± 0.08 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: 0.0453
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No