Information card for entry 7225522

Structure parameters

• Chemical name: 3
• Formula: C38 H60 Ho2 N6 O14
• Calculated formula: C38 H60 Ho2 N6 O14
• SMILES: c12c(cccc1C=[N]1N=C3[O]4[Ho]561(O2)([O]=C(C=C(O5)C)C)([N](CC1=N[N]2=Cc5c(c(ccc5)OC)O[Ho]542([N](C3)(C)C)([O]61)([O]=C(C=C(O5)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: 13.2891 ± 0.0008 Å
• b: 8.3607 ± 0.0006 Å
• c: 20.7052 ± 0.0015 Å
• α: 90°
• β: 102.908 ± 0.004°
• γ: 90°
• Cell volume: 2242.3 ± 0.3 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: 0.0849
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No