Information card for entry 2215683

Structure parameters

• Chemical name: Bis(benzylammonium) tetraaqua[bis(sulfato)cadmate(II)]
• Formula: C14 H28 Cd N2 O12 S2
• Calculated formula: C14 H28 Cd N2 O12 S2
• SMILES: C(c1ccccc1)[NH3+].[Cd](OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([OH2])([OH2])([OH2])[OH2].C(c1ccccc1)[NH3+]
• Title of publication: Bis(benzylammonium) tetraaqua[bis(sulfato)cadmate(II)]
• Authors of publication: Amini, Mostafa M.; Mohammadnezhad, Gholamhossein Sh.; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2516 - m2516
• a: 6.6361 ± 0.0014 Å
• b: 8.1378 ± 0.0018 Å
• c: 11.087 ± 0.003 Å
• α: 81.246 ± 0.018°
• β: 80.32 ± 0.018°
• γ: 76.302 ± 0.018°
• Cell volume: 569.5 ± 0.2 ų
• Cell temperature: 120 ± 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 significantly intense reflections: 0.0195
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes