Information card for entry 7054301

Structure parameters

• Formula: C51 H46 Dy4 N10 O18
• Calculated formula: C51 H46 Dy4 N10 O18
• SMILES: [Dy]123456[N]7=Cc8c9c(ccc8)[O]([Dy]8%10%11([O]%12[Dy]%13%14%15%16%17([O]%19[Dy]%20([O](C)c%21c%19c(ccc%21)C=[N]%14C(=C(N%15[C@H](C#N)c%14cccc(c%12%14)[O]%10C)C#N)C#N)([O]18%13)([O]4c1c(cccc1[O]%20C)[C@H](N5C(=C7C#N)C#N)C#N)([O]=C(O%11)C)([O]%16C(=[O]%17)C)OC)[O]6C)([O]=C(C)O2)([O]39)OC)C.[Dy]123456[N]7=Cc8c9c(ccc8)[O]([Dy]8%10%11([O]%12[Dy]%13%14%15%16%17([O]%19[Dy]%20([O](C)c%21c%19c(ccc%21)C=[N]%14C(=C(N%15[C@@H](C#N)c%14cccc(c%12%14)[O]%10C)C#N)C#N)([O]18%13)([O]4c1c(cccc1[O]%20C)[C@@H](N5C(=C7C#N)C#N)C#N)([O]=C(O%11)C)([O]%16C(=[O]%17)C)OC)[O]6C)([O]=C(C)O2)([O]39)OC)C
• Title of publication: Magnetic refrigeration and slow magnetic relaxation in tetranuclear lanthanide cages (Ln = Gd, Dy) with in situ ligand transformation
• Authors of publication: Sheikh, Javeed Ahmad; Adhikary, Amit; Konar, Sanjit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 7
• Pages of publication: 3006
• a: 13.605 ± 0.003 Å
• b: 20.387 ± 0.005 Å
• c: 21.6 ± 0.005 Å
• α: 75.167 ± 0.006°
• β: 88.823 ± 0.006°
• γ: 88.595 ± 0.006°
• Cell volume: 5789 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1351
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No