Information card for entry 7044126

Structure parameters

• Formula: C44 H42 N4 Ni3 O16
• Calculated formula: C44 H38 N4 Ni3 O16
• Title of publication: Long-range magnetic ordering in a metal-organic framework based on octanuclear nickel(II) clusters
• Authors of publication: Wang, Junli; Bai, Yan; Pan, Hui; Zheng, Guang-Shui; Dang, Dong-Bin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.403 ± 0.002 Å
• b: 19.403 ± 0.002 Å
• c: 21.606 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7044.4 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No