Information card for entry 7210505

Structure parameters

• Formula: C168 H364 Cl24 N24 Nd8 O74
• Calculated formula: C168 H312 Cl24 N24 Nd8 O74
• SMILES: [NH3+]C1(C2=[O][Nd]3456([O]2[Nd]2([O]=C(C7([NH3+])CCCCC7)O4)(OC(C4([NH3+])CCCCC4)=[O]5)(OC(=[O]2)C2([NH3+])CCCCC2)([OH2])([OH2])[O]=C(O6)C2([NH3+])CCCCC2)(OC(=[O]3)C2(CCCCC2)[NH3+])([OH2])[OH2])CCCCC1.[NH3+]C1(C2=[O][Nd]3456(O2)([O]=C(C2([NH3+])CCCCC2)O[Nd]27(OC(=[O]2)C2([NH3+])CCCCC2)([O]=C(C2([NH3+])CCCCC2)O3)([O]4C(C2([NH3+])CCCCC2)=[O]7)([O]5C(C2([NH3+])CCCCC2)=[O]6)([OH2])[OH2])([OH2])[OH2])CCCCC1.C(=O)(C1(CCCCC1)[NH3+])O[Nd]123([OH2])([OH2])([O]=C(C4(CCCCC4)[NH3+])O[Nd]([O]=C(C4(CCCCC4)[NH3+])O1)(OC(=O)C1(CCCCC1)[NH3+])([O]=C(C1(CCCCC1)[NH3+])O3)(OC(C1(CCCCC1)[NH3+])=[O]2)([OH2])([OH2])[OH2])[OH2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].O.O.O.O.C1(=[O][Nd]2345(O1)([O]=C(C1([NH3+])CCCCC1)O[Nd]1([O]3C(=[O]2)C2([NH3+])CCCCC2)([O]=C(O4)C2([NH3+])CCCCC2)(OC(=[O]5)C2([NH3+])CCCCC2)(OC(=[O]1)C1([NH3+])CCCCC1)([OH2])[OH2])([OH2])[OH2])C1(CCCCC1)[NH3+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].O.O.O.O
• Title of publication: A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4
• Authors of publication: Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2084 - 2090
• a: 16.2942 ± 0.0003 Å
• b: 15.3925 ± 0.0004 Å
• c: 50.4286 ± 0.0013 Å
• α: 90°
• β: 96.817 ± 0.002°
• γ: 90°
• Cell volume: 12558.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No