Information card for entry 4333322

Structure parameters

• Formula: C44 H88 Cl3 Cu6 F18 N6 O33 Y3
• Calculated formula: C44 H88 Cl3 Cu6 F18 N6 O33 Y3
• 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: 29 ± 0.002 Å
• b: 15.1494 ± 0.0008 Å
• c: 25.742 ± 0.002 Å
• α: 90°
• β: 122.558 ± 0.002°
• γ: 90°
• Cell volume: 9532 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No