Information card for entry 1543960

Structure parameters

• Formula: C13 H23 Cu N3 O6
• Calculated formula: C13 H23 Cu N3 O6
• Title of publication: Supramolecular assemblies of copper(II)-pyridine-2,3-dicarboxylate complexes with N-donor ligands and clustered water molecules
• Authors of publication: Fatih Semerci; Okan Zafer Yesilel; Halis Olmez; Orhan Buyukgungor
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 407 - 417
• a: 7.3452 ± 0.0002 Å
• b: 13.6255 ± 0.0004 Å
• c: 16.7375 ± 0.0005 Å
• α: 90°
• β: 90.77 ± 0.002°
• γ: 90°
• Cell volume: 1674.97 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1382
• 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