Information card for entry 4315410

Structure parameters

• Formula: C24 H18 N30 Ni6 O25 S12
• Calculated formula: C24 H18 N30 Ni6 O25 S12
• Title of publication: Three-Dimensional Porous Metal-Organic Frameworks Exhibiting Metamagnetic Behaviors: Synthesis, Structure, Adsorption, and Magnetic Properties
• Authors of publication: Qun Yu; Yong-Fei Zeng; Jiong-Peng Zhao; Qian Yang; Bo-Wen Hu; Ze Chang; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4301 - 4306
• a: 24.342 ± 0.003 Å
• b: 24.342 ± 0.003 Å
• c: 18.303 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9392 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No