Information card for entry 2019135

Structure parameters

• Common name: Tutton salt ammonium copper
• Chemical name: Diammonium hexaaquacopper(II) disulfate
• Formula: Cu H20 N2 O14 S2
• Calculated formula: Cu H20 N2 O14 S2
• SMILES: [NH4+].[O-]S(=O)(=O)[O-].[OH2][Cu]([OH2])([OH2])([OH2])([OH2])[OH2].[NH4+].O=S(=O)([O-])[O-]
• Title of publication: On the (non-)existence of Tutton salts with formula types [<i>M</i>(H~2~O)~6~](ClO~4~)~2~(H~2~O)~2~ and Na~2~<i>M</i>(SO~4~)~2~(H~2~O)~6~ (<i>M</i> is a first-row transition metal)
• Authors of publication: Weil, Matthias
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 990 - 994
• a: 6.2908 ± 0.0003 Å
• b: 12.4043 ± 0.0006 Å
• c: 9.2181 ± 0.0005 Å
• α: 90°
• β: 106.146 ± 0.002°
• γ: 90°
• Cell volume: 690.94 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes