Information card for entry 7031078

Structure parameters

• Formula: C64 H88 Cl2 Dy6 N16 O32
• Calculated formula: C64 H80 Cl2 Dy6 N16 O30
• SMILES: C12[O]3[Dy]45678([n]9c(C%10=N[N]%11[Dy]%12%13([O]5%10)(Oc5ccccc5C=%11)([O]=CO[Dy]5%10%11%14([OH]4[Dy]4%15%16%17([n]%18c(C%19=N[N]%20[Dy]%21%22([OH]%15[Dy]%153([N](N=2)=Cc2ccccc2[O]%21%15)([OH]64)([O]=CO8)([O]=CN(C)C)[O]=CO%22)([O]%17%19)(Oc2c(cccc2)C=%20)([O]=CN(C)C)[O]=CN(C)C)cccc%18C(=N[N]%10=Cc2ccccc2[O]%13%11)[OH]%14%16)(OC=[O]5)[OH2])([O]=CN(C)C)[OH]7%12)([O]=CN(C)C)[O]=CN(C)C)cccc19)[OH2].[Cl-].O.[Cl-].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: 13.8677 ± 0.0016 Å
• b: 16.1876 ± 0.0019 Å
• c: 20.268 ± 0.002 Å
• α: 90°
• β: 103.23 ± 0.005°
• γ: 90°
• Cell volume: 4429.1 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No