Information card for entry 4310877

Structure parameters

• Common name: Layered NiSo4 with 1,3-DAP
• Formula: C3 H18 F2 N2 Ni3 O15 S3
• Calculated formula: C3 H12 F2 N2 Ni3 O15 S3
• 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: 12.012 ± 0.0007 Å
• b: 7.3584 ± 0.0005 Å
• c: 9.9143 ± 0.0006 Å
• α: 90°
• β: 98.022 ± 0.001°
• γ: 90°
• Cell volume: 867.74 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.0999
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No