Information card for entry 7225119

Structure parameters

• Common name: metallacrown
• Chemical name: {Nd(NO3)(H2O)2[15-MCCu(N)glyha-5](H2O)2}?2NO3?7H2O
• Formula: C10 H42 Cu5 N13 Nd O30
• Calculated formula: C10 H42 Cu5 N13 Nd O30
• SMILES: O(N(=O)=O)[Cu]123[O]4[Nd]5678([O]9[Cu]%10(OC%11=[N]9[Cu]9([O]5[N]5=C(O9)C[NH2][Cu]95([O]6[N]5=C(O9)C[NH2][Cu]65([O]7[N]3=C(O6)C[NH2]2)[OH2])[OH2])[NH2]C%11)[NH2]CC(=[N]4%10)O1)([OH2])([OH2])[O]=N(O8)=O.O.O.O.O.O.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: 10.7503 ± 0.0008 Å
• b: 11.5848 ± 0.0011 Å
• c: 16.9532 ± 0.0014 Å
• α: 72.702 ± 0.001°
• β: 87.426 ± 0.002°
• γ: 74.978 ± 0.001°
• Cell volume: 1945.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1318
• 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