Information card for entry 4336176

Structure parameters

• Formula: C17 H52 Cl4 Cu6 N8 O25
• Calculated formula: C17 H52 Cl4 Cu6 N8 O25
• 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: 10.8965 ± 0.0004 Å
• b: 12.1168 ± 0.0003 Å
• c: 17.4238 ± 0.0007 Å
• α: 92.718 ± 0.002°
• β: 107.133 ± 0.002°
• γ: 97.842 ± 0.002°
• Cell volume: 2168.48 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No