Information card for entry 7030352

Structure parameters

• Formula: C54 H115 Cl9 Cu6 N18 O44
• Calculated formula: C54 H115 Cl9 Cu6 N18 O44
• Title of publication: pH dependent facile synthesis of di- and trinuclear oxime based Cu(ii) complexes: antiferromagnetic coupling in the dinuclear cores and spin frustration in the triangular core.
• Authors of publication: Das, Lakshmi Kanta; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7589 - 7598
• a: 13.7881 ± 0.0015 Å
• b: 13.8192 ± 0.0014 Å
• c: 15.706 ± 0.003 Å
• α: 92.716 ± 0.013°
• β: 96.802 ± 0.013°
• γ: 119.851 ± 0.011°
• Cell volume: 2557.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2169
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No