Information card for entry 7239536

Structure parameters

• Formula: C H N O Zn
• Calculated formula: C2.31933 H1.41176 O0.436975 Zn0.134454
• Title of publication: Trigonal prism or octahedron: the conformational change of a dendritic six-node ligand in MOFs
• Authors of publication: Jia, Jiangtao; Sun, Fuxing; Ma, Heping; Wang, Lei; Cai, Kun; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 35
• Pages of publication: 10112
• a: 19.85 ± 0.003 Å
• b: 19.85 ± 0.003 Å
• c: 83.91 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28633 ± 12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.145
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.3348
• Weighted residual factors for all reflections included in the refinement: 0.358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.384
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No