Information card for entry 4336179

Structure parameters

• Formula: C16 H41 Cu4 K N8 O17
• Calculated formula: C16 H41 Cu4 K N8 O17
• 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: 13.133 ± 0.0004 Å
• b: 13.133 ± 0.0004 Å
• c: 9.6551 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.27 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No