Information card for entry 4347455

Structure parameters

• Formula: C90 H106 Dy4 N21 O45
• Calculated formula: C90 H96 Dy4 N21 O45
• SMILES: CCOc1cccc2c1O[Dy]1345678[N](=C2)NC(=[O]1)CCC1N[N]2=Cc9cccc%10[O](CC)[Dy]%11%12%13%14%15%16%17[N]%18NC(=[O]%14)CCC%14N[N]%19=Cc%20cccc(c%20O[Dy]%20%21%22%23%19([N](NC(=[O]%22)CCC(N[N]%11=Cc%11cccc(c%11O%16)OCC)=[O]%15)=Cc%11cccc([O]7CC)c%11[O]8%21)([O]6c6c(C=[N]4NC(=[O]5)CCC4N[N]5=Cc7cccc(c7O[Dy]725([O]=1)([O]%12c9%10)([O](CC)c1c([O]%137)c(ccc1)C=%18)([O]%17N(=[O]3)=[O]%23)[O]=4)OCC)cccc6[O]%20CC)[O]=%14)OCC.CO.N(=O)(=O)[O-].N(=O)(=O)[O-].O.CO.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.
• Authors of publication: Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5237 - 5244
• a: 28.876 ± 0.002 Å
• b: 21.597 ± 0.002 Å
• c: 17.0366 ± 0.0013 Å
• α: 90°
• β: 90.226 ± 0.004°
• γ: 90°
• Cell volume: 10624.5 ± 1.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No