Information card for entry 4347454

Structure parameters

• Formula: C88 H115 Er4 N18 O41
• Calculated formula: C88 H97 Er4 N18 O41
• SMILES: [Er]1234567Oc8c(OCC)cccc8C=[N]6NC(=[O]4)CCC4N[N]6[Er]89%10%11%12([O]([Er]%13%14%15%16%17([O]=C(N[N]%14=Cc%14c(c(OCC)ccc%14)O%17)CCC%14=[O][Er]%17%18%19%20([O](c%21cccc(c%21[O]3%17)C=[N]5NC(=[O]2)CCC(N[N]8=Cc2cccc(OCC)c2O%10)=[O]9)CC)([O]1c1c(OCC)cccc1C=[N]%19N%14)([N](NC(=[O]%18)CCC(=[O]%13)N[N]%15=Cc1c(c(OCC)ccc1)[O]%12%16)=Cc1cccc(OCC)c1O%20)[OH]7)[OH]%11)c1c(cccc1OCC)C=6)[O]=4.O=N(=O)[O-].O.O.O.N(=O)(=O)[O-].O.O.O.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: 13.205 ± 0.003 Å
• b: 17.931 ± 0.004 Å
• c: 24.533 ± 0.005 Å
• α: 69.904 ± 0.005°
• β: 81.134 ± 0.005°
• γ: 77.908 ± 0.005°
• Cell volume: 5313 ± 2 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No