Information card for entry 7052910

Structure parameters

• Chemical name: Bis[rac-(2-amino-butan-1-olato-κN,O)-rac-(2-amino-butan-1-ol-κN,O)-aqua- copper(II)] di-perchlorate
• Formula: C16 H46 Cl2 Cu2 N4 O14
• Calculated formula: C16 H45.77 Cl2 Cu2 N4 O14
• Title of publication: Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands
• Authors of publication: Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1596
• a: 16.226 ± 0.0003 Å
• b: 16.2256 ± 0.0003 Å
• c: 5.601 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1474.61 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No