Information card for entry 7245798

Structure parameters

• Formula: C14 H32 Cu N2 O6
• Calculated formula: C14 H32 Cu N2 O6
• SMILES: [Cu]12([OH]C[C@H]([NH2]1)C(C)C)([OH]C[C@H]([NH2]2)C(C)C)(OC(=O)C)OC(=O)C
• 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: 4.96 ± 0.0002 Å
• b: 22.0851 ± 0.0009 Å
• c: 8.5898 ± 0.0004 Å
• α: 90°
• β: 98.147 ± 0.001°
• γ: 90°
• Cell volume: 931.45 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No