Information card for entry 1567142

Structure parameters

• Formula: C6 H8 N2 Ni O4 S
• Calculated formula: C6 H8 N2 Ni O4 S
• Title of publication: Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates
• Authors of publication: González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 31
• Pages of publication: 14786 - 14792
• a: 6.476 ± 0.0006 Å
• b: 7.2221 ± 0.0007 Å
• c: 16.615 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 777.09 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0359
• Goodness-of-fit parameter for all reflections: 3.18
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No