Information card for entry 2014792

Structure parameters

• Common name: ammonium copper Tutton salt
• Chemical name: perdeuterated diammonium hexaaquacopper(II) bis(sulfate)
• Formula: Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034
• Calculated formula: Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034
• Title of publication: Single-crystal neutron-diffraction study of 3.4% Zn-doped (ND~4~)~2~[Cu(D~2~O)~6~](SO~4~)~2~ at 20 K
• Authors of publication: Schultz, Arthur J.; Cowan, John A.; Hitchman, Michael A.; Stratemeier, Horst
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m234 - m236
• a: 9.0806 ± 0.0017 Å
• b: 12.1903 ± 0.0017 Å
• c: 6.3424 ± 0.0012 Å
• α: 90°
• β: 106.379 ± 0.016°
• γ: 90°
• Cell volume: 673.6 ± 0.2 ų
• Cell temperature: 20 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation type: white-beam
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes