Information card for entry 1567140

Structure parameters

• Formula: C12 H12 N4 Ni O4 S
• Calculated formula: C12 H12 N4 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: 28.3729 ± 0.0011 Å
• b: 6.5464 ± 0.0002 Å
• c: 7.3531 ± 0.0003 Å
• α: 90°
• β: 97.1 ± 0.004°
• γ: 90°
• Cell volume: 1355.29 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0604
• Goodness-of-fit parameter for all reflections: 5.06
• 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