Information card for entry 4346186

Structure parameters

• Common name: tetrakis(m-phenylenebis(dihexanoylmethanato))- (mu-C70fullerene)tetracopper o-dichlorobenzene solvate
• Formula: C217.5 H205 Cl6.5 Cu4 O16
• Calculated formula: C217.5 H205 Cl6.5 Cu4 O16
• 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: 16.2905 ± 0.0008 Å
• b: 21.8084 ± 0.0011 Å
• c: 50.315 ± 0.002 Å
• α: 91.494 ± 0.002°
• β: 96.362 ± 0.002°
• γ: 90.947 ± 0.002°
• Cell volume: 17755.9 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.345
• Weighted residual factors for all reflections included in the refinement: 0.3738
• Goodness-of-fit parameter for all reflections included in the refinement: 2.67
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No