Information card for entry 7210508

Structure parameters

• Formula: C70 H150 Cl9 N10 Nd3 O66
• Calculated formula: C70 H130 Cl9 N10 Nd3 O66
• SMILES: [Nd]123(OC(=O)C4(CCCCC4)[NH3+])([OH2])([OH2])([OH2])OC(=[O][Nd]456([O]=C(C7(CCCCC7)[NH3+])O1)([O]=C(C1(CCCCC1)[NH3+])O2)([O]=C(C1(CCCCC1)[NH3+])O3)[O]=C(C1(CCCCC1)[NH3+])O[Nd]1(OC(=[O]1)C1(CCCCC1)[NH3+])([OH2])([OH2])([OH2])([O]=C(C1(CCCCC1)[NH3+])O4)([O]=C(C1(CCCCC1)[NH3+])O5)[O]=C(C1(CCCCC1)[NH3+])O6)C1(CCCCC1)[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].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: 14.524 ± 0.0002 Å
• b: 27.1221 ± 0.0005 Å
• c: 28.9263 ± 0.0005 Å
• α: 90°
• β: 90.599 ± 0.002°
• γ: 90°
• Cell volume: 11394.1 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No