Information card for entry 7245802

Structure parameters

• Formula: C32 H41 Cl2 Cu2 N4 O13
• Calculated formula: C32 H43 Cl2 Cu2 N4 O13
• SMILES: c1(ccccc1)[C@@H]1C[OH][Cu]2([NH2]1)([NH2][C@H](c1ccccc1)CO2)OCl(=O)(=[O][Cu]12([NH2][C@H](c3ccccc3)CO1)([NH2][C@H](c1ccccc1)C[OH]2)[OH2])=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
• Authors of publication: Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 49
• Pages of publication: 32119 - 32128
• a: 9.134 ± 0.0008 Å
• b: 15.3961 ± 0.0013 Å
• c: 28.66 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4030.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1088
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No