Information card for entry 4346181

Structure parameters

• Common name: tetrakis(2-methoxy-1,3-phenylenebis(dipropionylmethanato))tetracopper acetonitrile solvate
• Formula: C97.5 H124.25 Cu4 N6.75 O20
• Calculated formula: C84 H104 Cu4 O20
• Title of publication: Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.
• Authors of publication: Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7791 - 7802
• a: 25.5002 ± 0.0006 Å
• b: 25.5002 ± 0.0006 Å
• c: 17.3192 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11262 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No