Information card for entry 4336183

Structure parameters

• Formula: C5 H12 Cu N2 O4
• Calculated formula: C5 H12 Cu N2 O4
• Title of publication: Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and "Bicapped Cubane" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study
• Authors of publication: Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11096 - 11109
• a: 6.1302 ± 0.0002 Å
• b: 8.2951 ± 0.0005 Å
• c: 8.3351 ± 0.0005 Å
• α: 103.745 ± 0.003°
• β: 91.979 ± 0.003°
• γ: 90.665 ± 0.003°
• Cell volume: 411.38 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No