Information card for entry 4310876

Structure parameters

• Common name: Layered NiSo4 with DABCO
• Formula: C6 H18 F2 N2 Ni3 O14 S3
• Calculated formula: C3 H9 F N Ni1.5 O7 S1.5
• 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: 7.4812 ± 0.0004 Å
• b: 9.8688 ± 0.0005 Å
• c: 24.1052 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779.7 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.1001
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No