Information card for entry 7007010

Structure parameters

• Formula: C26 H44 Cu4 N16 O8
• Calculated formula: C26 H44 Cu4 N16 O8
• SMILES: C1C2C[N]([Cu]34([O]2[Cu]([N]1(C)C)(N=C=NC#N)(N=C=NC#[N][Cu]12([N](CC5C[N](C)(C)[Cu](N=C=NC#N)(N=C=NC#[N]4)([O]15)[O]=C(C)O2)(C)C)[OH2])[O]=C(C)O3)[OH2])(C)C
• Title of publication: Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study.
• Authors of publication: El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 2934 - 2942
• a: 8.284 ± 0.008 Å
• b: 21.524 ± 0.012 Å
• c: 11.432 ± 0.003 Å
• α: 90°
• β: 105.19 ± 0.02°
• γ: 90°
• Cell volume: 1967 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No