Information card for entry 4003394

Structure parameters

• Formula: C21 H33 N3 Ni1.5 O15.5
• Calculated formula: C21 H23 N3 Ni1.5 O15.5
• Title of publication: Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF
• Authors of publication: Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 7979
• a: 30.577 ± 0.002 Å
• b: 10.019 ± 0.0008 Å
• c: 22.7524 ± 0.0017 Å
• α: 90°
• β: 123.297 ± 0.002°
• γ: 90°
• Cell volume: 5826 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No