Information card for entry 4346183

Structure parameters

• Common name: tetrakis(m-phenylenebis(dihexanoylmethanato))- (mu-bis(4-pyridyl)ethane)bis(methanol)tetracopper chloroform solvate
• Formula: C152 H222 Cl30 Cu4 N2 O18
• Calculated formula: C152 H222 Cl30 Cu4 N2 O18
• 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: 15.0928 ± 0.0007 Å
• b: 18.3346 ± 0.0008 Å
• c: 19.543 ± 0.0008 Å
• α: 63.868 ± 0.002°
• β: 87.85 ± 0.002°
• γ: 68.842 ± 0.002°
• Cell volume: 4480 ± 0.4 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: 0.0937
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No