Information card for entry 7050637

Structure parameters

• Common name: Cudaps
• Chemical name: Cudaps
• Formula: C50 H48 Cu2 N12 O10
• Calculated formula: C50 H48 Cu2 N12 O10
• Title of publication: Conformational rearrangement of 2,6-bis(1-salicyloylhydrazonoethyl)pyridine (H4daps) on complexation. Synthesis and X-ray characterisation of H4daps and its copper helicate complex [Cu(H2daps)(H2O)]2·2CH3CN
• Authors of publication: Manuel R. Bermejo; Rosa Pedrido; Ana M. González-Noya; María J. Romero; Miguel Vázquez; Lorenzo Sorace
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1753 - 1759
• a: 23.936 ± 0.004 Å
• b: 14.65 ± 0.002 Å
• c: 18.069 ± 0.003 Å
• α: 90 ± 0.003°
• β: 129.566 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 4884.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No