Information card for entry 4346184

Structure parameters

• Common name: tetrakis(5-butoxy-1,3-phenylenebis(acetylacetonato))- (mu-4,4'-bipyridine)tetracopper chloroform solvate
• Formula: C106 H120 Cl48 Cu4 N2 O20
• Calculated formula: C98 H112 Cl24 Cu4 N2 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: 14.2042 ± 0.0006 Å
• b: 16.1861 ± 0.0007 Å
• c: 18.4464 ± 0.0007 Å
• α: 70.092 ± 0.002°
• β: 72.882 ± 0.002°
• γ: 81.304 ± 0.002°
• Cell volume: 3804.8 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No