Information card for entry 4310878

Structure parameters

• Common name: 3D NiSO4 with PIP
• Formula: C4 H14 F4 N2 Ni2 O5 S
• Calculated formula: C4 H14 F4 N2 Ni2 O5 S
• Title of publication: Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates
• Authors of publication: J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2636 - 2642
• a: 10.8722 ± 0.0002 Å
• b: 10.8722 ± 0.0002 Å
• c: 8.9098 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1053.18 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.0589
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No