Information card for entry 7208785

Structure parameters

• Formula: C10 H50 Er2 N10 O32 S8
• Calculated formula: C10 H50 Er2 N10 O32 S8
• SMILES: C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].[NH3+]CC[NH3+].O1S(=O)(O[Er]2341(OS(=O)(=O)O[Er]156(OS(O5)(=O)=O)(OS(=O)(=O)O1)(OS(=O)(=O)O2)OS(=O)(=O)O6)(OS(=O)(=O)O4)OS(=O)(=O)O3)=O.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+]
• Title of publication: A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects
• Authors of publication: Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6627
• a: 8.7375 ± 0.0018 Å
• b: 9.817 ± 0.002 Å
• c: 13.443 ± 0.003 Å
• α: 98.975 ± 0.002°
• β: 92.892 ± 0.002°
• γ: 115.75 ± 0.002°
• Cell volume: 1016.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No