Information card for entry 4346179

Structure parameters

• Common name: tetrakis(m-phenylenebis(dihexanoylmethanato))bis(methanol)tetracopper chloroform solvate
• Formula: C142 H210 Cl36 Cu4 O18
• Calculated formula: C142 H209 Cl36 Cu4 O18
• SMILES: [Cu]123OC(=C(C(=[O]1)CCCCC)c1cc(ccc1)C1=C(O[Cu]4([O]=C1CCCCC)(OC(=C(C(=[O]4)CCCCC)c1cc(ccc1)C1=C(O[Cu]4([O]=C1CCCCC)OC(=C(C(=[O]4)CCCCC)c1cc(ccc1)C1=C(O[Cu]4([O]=C1CCCCC)([O]=C(C(=C(O4)CCCCC)c1cc(ccc1)C(=C(O3)CCCCC)C(=[O]2)CCCCC)CCCCC)OC)CCCCC)CCCCC)CCCCC)CCCCC)OC)CCCCC)CCCCC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 18.9177 ± 0.0006 Å
• b: 19.2984 ± 0.0006 Å
• c: 28.0714 ± 0.0009 Å
• α: 70.56 ± 0.002°
• β: 76.612 ± 0.002°
• γ: 68.315 ± 0.002°
• Cell volume: 8911 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.445
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No