Information card for entry 7225520

Structure parameters

• Chemical name: 1
• Formula: C38 H60 Gd2 N6 O14
• Calculated formula: C38 H60 Gd2 N6 O14
• SMILES: c12c(cccc1C=[N]1N=C3[O]4[Gd]561(O2)(OC(=CC(=[O]5)C)C)([N](CC1=N[N]2=Cc5c(c(ccc5)OC)O[Gd]542([N](C3)(C)C)([O]61)(OC(=CC(=[O]5)C)C)[OH2])(C)C)[OH2])OC.OCC.OCC
• Title of publication: Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes
• Authors of publication: Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 61
• Pages of publication: 56668
• a: 13.3263 ± 0.0003 Å
• b: 8.3727 ± 0.0002 Å
• c: 20.7908 ± 0.0005 Å
• α: 90°
• β: 102.872 ± 0.0011°
• γ: 90°
• Cell volume: 2261.48 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0214
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No