Information card for entry 1568589

Structure parameters

• Chemical name: Nickel(II) chloride hexahydrate
• Formula: Cl2 H12 Ni O6
• Calculated formula: Cl2 H12 Ni O6
• Title of publication: Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors
• Authors of publication: Boeré, René T.
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 293
• a: 6.5628 ± 0.0004 Å
• b: 7.033 ± 0.0004 Å
• c: 8.7326 ± 0.0006 Å
• α: 90°
• β: 96.723 ± 0.006°
• γ: 90°
• Cell volume: 400.29 ± 0.04 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No