Information card for entry 4320763

Structure parameters

• Common name: [Cu(dmppy)(Me2-phen)].NaClO4.1.2CH3CN.0.4toluene
• Formula: C28.2 H27.8 Cl Cu N6.2 Na O6
• Calculated formula: C28.2 H21 Cl Cu N6.2 Na O6
• 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: 15.78 ± 0.002 Å
• b: 15.334 ± 0.002 Å
• c: 13.898 ± 0.002 Å
• α: 90°
• β: 110.912 ± 0.007°
• γ: 90°
• Cell volume: 3141.4 ± 0.7 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 7
• 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: 0.0953
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No