Information card for entry 2101830

Structure parameters

• Formula: H14 Ni O11 S
• Calculated formula: H14 Ni O11 S
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].O
• Title of publication: Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K
• Authors of publication: Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 325 - 336
• a: 6.706 ± 0.003 Å
• b: 11.796 ± 0.006 Å
• c: 11.949 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 945 ± 1 ų
• Cell temperature: 25 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.68
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.215 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No