Information card for entry 7225120

Structure parameters

• Common name: metallacrown
• Chemical name: {Sm(NO3)(H2O)2[15-MCCu(N)glyha-5] (H2O)2}?2NO3?6H2O
• Formula: C10 H42 Cu5 N13 O30 Sm
• Calculated formula: C10 H42 Cu5 N13 O30 Sm
• SMILES: [Sm]12345([O]6[Cu]78(OC9=[N]6[Cu]6([O]4[N]4=C(O6)C[NH2][Cu]64[O]3[N]3=C(O6)C[NH2][Cu]43[O]2[N]2=C(O4)C[NH2][Cu]32(OC(C[NH2]7)=[N]8[O]13)[OH2])[NH2]C9)[OH2])(ON(=[O]5)=O)([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O.O.O.O.O.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: 10.71 ± 0.0008 Å
• b: 11.5449 ± 0.0009 Å
• c: 16.8941 ± 0.0013 Å
• α: 72.927 ± 0.002°
• β: 87.173 ± 0.002°
• γ: 74.987 ± 0.003°
• Cell volume: 1927.9 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No