Information card for entry 7030351

Structure parameters

• Formula: C18 H38 B2 Cu2 F8 N6 O3
• Calculated formula: C18 H38 B2 Cu2 F8 N6 O3
• SMILES: [Cu]1234([N](O[Cu]56([N](O3)=C(C(=[N]5CCC[N]6(C)C)C)C)[OH2]4)=C(C(=[N]1CCC[N]2(C)C)C)C)[F][B](F)(F)F.[B](F)(F)(F)[F-]
• 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: 10.4206 ± 0.0003 Å
• b: 13.283 ± 0.0003 Å
• c: 21.0965 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2920.11 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No