Information card for entry 7025251

Structure parameters

• Formula: C24 H96 F2 N18 O56 S14 Sm4
• Calculated formula: C24 H96 F2 N18 O56 S14 Sm4
• SMILES: C(C[NH3+])[NH2+]CC[NH3+].C(C[NH2+]CC[NH3+])[NH3+].C([NH2+]CC[NH3+])C[NH3+].[F]1[Sm]2345(OS(=O)(=O)O3)(OS(=O)(O5)=O)(OS(=O)(=O)[O-])OS(=O)(=O)O[Sm]35671([O]2=S(=O)(O5)O4)(OS(=O)(=O)O7)[O]=S(=O)(O3)O[Sm]12345([O]=S(=O)(O6)O5)(OS(=O)(=O)O3)[F][Sm]356(OS(=O)(O3)=O)(OS(=O)(=O)[O-])(OS(=O)(=O)O2)([O]1S(=[O]4)(=O)O5)OS(=O)(=O)O6.C(C[NH3+])[NH2+]CC[NH3+].C(C[NH2+]CC[NH3+])[NH3+].C([NH2+]CC[NH3+])C[NH3+]
• Title of publication: Solvothermal syntheses, crystal structures and luminescence properties of three new lanthanide sulfate fluorides.
• Authors of publication: Zhou, Wanli; Xu, Yan; Han, Lijie; Zhu, Dunru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3681 - 3686
• a: 11.1988 ± 0.0009 Å
• b: 11.4073 ± 0.0009 Å
• c: 16.2666 ± 0.0013 Å
• α: 89.901 ± 0.001°
• β: 82.406 ± 0.001°
• γ: 67.757 ± 0.001°
• Cell volume: 1903.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No