Information card for entry 4348944

Structure parameters

• Formula: C96 H112 Cu8 Dy4 N16 O40
• Calculated formula: C96 H112 Cu8 Dy4 N16 O40
• SMILES: C1Cc2cccc[n]2[Cu]234[O]51[Cu]167[n]8c(CC[O]41[Dy]149%10([O]3[Dy]3%11%125([O]=C([C@H]5NC(=O)CC5)O[Cu]5%13%14[n]%15c(CC[O]%165[Cu]5%17([n]%18c(CC[O]3%135)cccc%18)OC([C@H]3NC(=O)CC3)=[O][Dy]35%13%16([O]%16%18CCc%19cccc[n]%19[Cu]%19%20%16[O]%16%21CCc%22cccc[n]%22[Cu]%18%16(OC([C@H]%16NC(=O)CC%16)=[O]3)[O]%13[Dy]3%13%16%21([O]%18%21CCc%22cccc[n]%22[Cu]%21([O]%211CCc1cccc[n]1[Cu]%18%21(OC([C@H]1NC(=O)CC1)=[O]3)O%13)(OC([C@H]1NC(=O)CC1)=[O]4)[O]%10%16)([O]=C([C@H]1NC(=O)CC1)O%19)[O]5%20)([O]%11%14)[O]%12%17)cccc%15)([O]=C([C@H]1NC(=O)CC1)O6)[O]79)[O]=C([C@H]1NC(=O)CC1)O2)cccc8
• Title of publication: Chiral biomolecule based dodecanuclear dysprosium(iii)‒copper(ii) clusters: structural analyses and magnetic properties
• Authors of publication: Joarder, Biplab; Mukherjee, Soumya; Patil, Mahendra; Xue, Shufang; Tang, Jinkui; Ghosh, Sujit K.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 854
• a: 16.9996 ± 0.001 Å
• b: 16.9996 ± 0.001 Å
• c: 13.1497 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3800.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 89
• Hermann-Mauguin space group symbol: P 4 2 2
• Hall space group symbol: P 4 2
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.3538
• Weighted residual factors for all reflections included in the refinement: 0.3586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.636
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No