Information card for entry 2203910

Structure parameters

• Chemical name: Bis(benzylammonium) tetraaquabis(sulfato)cuprate(II)
• Formula: C14 H28 Cu N2 O12 S2
• Calculated formula: C14 H28 Cu N2 O12 S2
• SMILES: [NH3+]Cc1ccccc1.S(O[Cu]([OH2])([OH2])([OH2])([OH2])OS(=O)(=O)[O-])([O-])(=O)=O.[NH3+]Cc1ccccc1
• Title of publication: Bis(benzylammonium) tetraaquabis(sulfato)cuprate(II)
• Authors of publication: Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m993 - m995
• a: 6.549 ± 0.005 Å
• b: 8.091 ± 0.006 Å
• c: 11.354 ± 0.008 Å
• α: 78.79 ± 0.06°
• β: 79.7 ± 0.06°
• γ: 73.76 ± 0.06°
• Cell volume: 561.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes