Information card for entry 7031076

Structure parameters

• Formula: C38 H56 Cl5 Dy3 N14 O19
• Calculated formula: C38 H52 Cl5 Dy3 N14 O18
• SMILES: [Dy]12345([O]6[Dy]789%10([O]1C(=N[N]7=Cc1[n]%10cccc1)c1[n]4c(ccc1)C1[O]2[Dy]247([OH2])([OH2])([O]3C(=N[N]2=Cc2[n]4cccc2)c2[n]5c(ccc2)C6=N[N]8=Cc2[n]9cccc2)([OH2])[n]2ccccc2C=[N]7N=1)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].O.O.O.O.O
• Title of publication: Synthesis, crystal structure and study of magnetocaloric effect and single molecular magnetic behaviour in discrete lanthanide complexes.
• Authors of publication: Adhikary, Amit; Sheikh, Javeed Ahmad; Biswas, Soumava; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9334 - 9343
• a: 9.6026 ± 0.001 Å
• b: 17.0196 ± 0.0017 Å
• c: 18.5657 ± 0.0018 Å
• α: 93.555 ± 0.005°
• β: 94.076 ± 0.005°
• γ: 98.263 ± 0.005°
• Cell volume: 2987.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No