Information card for entry 7232825

Structure parameters

• Formula: C26 H20 Cu N2 O5
• Calculated formula: C26 H20 Cu N2 O5
• Title of publication: Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies
• Authors of publication: Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Das, Amal; Verma, Akalesh K.; Frontera, Antonio
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 29
• Pages of publication: 16339
• a: 10.4496 ± 0.0003 Å
• b: 21.2448 ± 0.0007 Å
• c: 11.214 ± 0.0004 Å
• α: 90°
• β: 117.886 ± 0.002°
• γ: 90°
• Cell volume: 2200.42 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No