Information card for entry 4339108

Structure parameters

• Formula: C28 H32 Cu4 F12 N4 O8
• Calculated formula: C28 H32 Cu4 F12 N4 O8
• SMILES: [Cu]1234[N](CC[O]52[Cu]267OC(=CC(=[N]6CC[O]62[Cu]28(OC(=CC(=[N]8CC[O]172)C)C(F)(F)F)[O]14[Cu]256[N](CC1)=C(C=C(O2)C(F)(F)F)C)C)C(F)(F)F)=C(C=C(O3)C(F)(F)F)C
• Title of publication: Cubane variations: syntheses, structures, and magnetic property analyses of lanthanide(III)-copper(II) architectures with controlled nuclearities.
• Authors of publication: Aronica, Christophe; Chastanet, Guillaume; Pilet, Guillaume; Le Guennic, Boris; Robert, Vincent; Wernsdorfer, Wolfgang; Luneau, Dominique
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6108 - 6119
• a: 13.839 ± 0.0004 Å
• b: 12.2627 ± 0.0004 Å
• c: 22.6302 ± 0.0005 Å
• α: 90°
• β: 96.785 ± 0.002°
• γ: 90°
• Cell volume: 3813.53 ± 0.19 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No