Information card for entry 7225117

Structure parameters

• Common name: metallacrown
• Chemical name: {La(OAc)(H2O)2[15-MCCu(N)glyha-5](H2O)4}?2NO3?5H2O
• Formula: C12 H45 Cu5 La N12 O29
• Calculated formula: C12 H45 Cu5 La N12 O29
• SMILES: [La]12345([O]6[Cu]78(OC9=[N]6[Cu]6([O]1[N]1=C(O6)C[NH2][Cu]61([O]2[N]1=C(O6)C[NH2][Cu]21([O]3[N]1=C(O2)C[NH2][Cu]21(OC(C[NH2]7)=[N]8[O]42)[OH2])[OH2])[OH2])[NH2]C9)[OH2])([OH2])([OH2])[O]=C(O5)C.O.O.O.O.O.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Synthesis, Crystal Structure, DNA-Binding and Magnetism of Copper 15-Metallacrown-5 Complexes Based on Glycinehydroxamic Acid Ligand
• Authors of publication: Meng, Yanxia; Yang, Hua; Li, DaCheng; Zeng, Suyuan; Chen, Guifang; Li, Shengli; Dou, Jianmin
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.4509 ± 0.0005 Å
• b: 12.5437 ± 0.0006 Å
• c: 16.3152 ± 0.0008 Å
• α: 71.343 ± 0.004°
• β: 76.532 ± 0.004°
• γ: 76.328 ± 0.004°
• Cell volume: 1940.04 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No