Information card for entry 1529235

Structure parameters

• Chemical name: Bis(oxoneodymium) Sulfate(VI)
• Formula: Nd2 O6 S
• Calculated formula: Nd2 O6 S
• SMILES: [Nd+3].[Nd+3].S(=O)(=O)([O-])[O-].[O-2].[O-2]
• Title of publication: Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4
• Authors of publication: Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor
• Journal of publication: Journal of Coordination Chemistry
• Year of publication: 2015
• Journal volume: 68
• Journal issue: 11
• Pages of publication: 1865
• a: 4.11991 ± 0.00035 Å
• b: 4.22332 ± 0.00038 Å
• c: 13.349 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 232.27 ± 0.04 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor R(I) for significantly intense reflections: 2.46
• Goodness-of-fit parameter for all reflections: 1.207
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes