Information card for entry 2105638

Structure parameters

• Formula: Cl2 H8 Ni O4
• Calculated formula: Cl2 H8 Ni O4
• Title of publication: Charge density in NiCl~2~.4H~2~O at 295 and 30K
• Authors of publication: Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 830 - 840
• a: 5.968 ± 0.002 Å
• b: 9.283 ± 0.003 Å
• c: 10.897 ± 0.003 Å
• α: 90°
• β: 100.08 ± 0.02°
• γ: 90°
• Cell volume: 594.4 ± 0.3 ų
• Cell temperature: 30 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.126
• Weighted residual factors for significantly intense reflections: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 2.99
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8405 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No