Information card for entry 2240101

Structure parameters

• Chemical name: Bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate
• Formula: C4 H32 N2 Ni O16 S2
• Calculated formula: C4 H32 N2 Ni O16 S2
• SMILES: C[NH2+]C.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].O.C[NH2+]C.[O-]S(=O)(=O)[O-].O
• Title of publication: Crystal structure of bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate
• Authors of publication: Held, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 403 - 405
• a: 8.9363 ± 0.0006 Å
• b: 13.237 ± 0.0008 Å
• c: 16.481 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1949.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes