Information card for entry 7056086

Structure parameters

• Common name: [Cu2(C5O5)(pmap)2](ClO4)2.2H2O
• Formula: C45 H48 Cl2 Cu2 N8 O15
• Calculated formula: C45 H48 Cl2 Cu2 N8 O15
• Title of publication: Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization
• Authors of publication: Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3846 - 3856
• a: 15.66 ± 0.0012 Å
• b: 16.0434 ± 0.0013 Å
• c: 20.4427 ± 0.0018 Å
• α: 90°
• β: 110.511 ± 0.004°
• γ: 90°
• Cell volume: 4810.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No