Information card for entry 2022796

Structure parameters

• Chemical name: Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)nickel(II) sulfate
• Formula: C7 H19 N Ni O9 S
• Calculated formula: C7 H19 N Ni O9 S
• Title of publication: 3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn
• Authors of publication: Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 17.1196 ± 0.0008 Å
• b: 7.0609 ± 0.0003 Å
• c: 11.2233 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1356.67 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes