Information card for entry 2105636

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: 6.006 ± 0.003 Å
• b: 9.338 ± 0.005 Å
• c: 10.986 ± 0.005 Å
• α: 90°
• β: 100.45 ± 0.03°
• γ: 90°
• Cell volume: 605.9 ± 0.5 ų
• Cell temperature: 295 ± 2 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: 0.18
• Weighted residual factors for significantly intense reflections: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 2.34
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8405 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No