Information card for entry 4501394

Structure parameters

• Formula: C20 H24 Cl2 Cu N4 O6
• Calculated formula: C20 H24 Cl2 Cu N4 O6
• SMILES: c1cc(cc[n]1[Cu]([n]1ccc(cc1)NC(=O)CC)(OC(=O)CCl)OC(=O)CCl)NC(=O)CC
• 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: 8.403 ± 0.003 Å
• b: 8.825 ± 0.004 Å
• c: 8.895 ± 0.004 Å
• α: 89.555 ± 0.011°
• β: 67.609 ± 0.009°
• γ: 78.394 ± 0.011°
• Cell volume: 595.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No