Information card for entry 1568587

Structure parameters

• Formula: Cl2 Cu H4 O2
• Calculated formula: Cl2 Cu H4 O2
• 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: 8.0553 ± 0.0003 Å
• b: 3.7295 ± 0.0002 Å
• c: 7.3674 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 221.333 ± 0.017 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.0134
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections included in the refinement: 0.0264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No