Information card for entry 4501392

Structure parameters

• Formula: C14 H16 Cu N6 O8
• Calculated formula: C14 H16 Cu N6 O8
• SMILES: [Cu]12(ON(=[O]1)=O)([n]1ccc(cc1)NC(=O)C)([n]1ccc(cc1)NC(=O)C)ON(=[O]2)=O
• 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: 9.1256 ± 0.0011 Å
• b: 12.2367 ± 0.0015 Å
• c: 17.072 ± 0.002 Å
• α: 90°
• β: 94.572 ± 0.003°
• γ: 90°
• Cell volume: 1900.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No