Information card for entry 1567141

Structure parameters

• Formula: C12 H16 N4 Ni O4 S
• Calculated formula: C12 H16 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: 23.012 ± 0.003 Å
• b: 6.0848 ± 0.0009 Å
• c: 10.6386 ± 0.0013 Å
• α: 90°
• β: 91.194 ± 0.009°
• γ: 90°
• Cell volume: 1489.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.0656
• Goodness-of-fit parameter for all reflections: 3.7
• 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