Information card for entry 4346180

Structure parameters

• Common name: tetrakis(5-methoxy-1,3-phenylenebis(acetylacetonato))diaquatetracopper chloroform-water solvate
• Formula: C80 H84 Cl36 Cu4 O30
• Calculated formula: C80 H84 Cl36 Cu4 O30
• 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: 19.366 ± 0.005 Å
• b: 19.366 ± 0.005 Å
• c: 19.977 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7492 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.262
• Weighted residual factors for all reflections included in the refinement: 0.2701
• 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: Yes
• Has Fobs: No