Information card for entry 4320758

Structure parameters

• Common name: [Cu(dmppy)(N-MeIm)]2
• Formula: C13 H15 Cu N5 O2
• Calculated formula: C13 H15 Cu N5 O2
• SMILES: CN1[Cu]2(N(C)C(=O)c3cccc(C1=O)[n]23)[n]1cn(cc1)C
• Title of publication: Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands
• Authors of publication: Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 7003 - 7008
• a: 9.3427 ± 0.0005 Å
• b: 11.6307 ± 0.0006 Å
• c: 12.9177 ± 0.0007 Å
• α: 90°
• β: 97.748 ± 0.001°
• γ: 90°
• Cell volume: 1390.85 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No