Information card for entry 4129698

Structure parameters

• Formula: C30 H22 Fe N12
• Calculated formula: C30 H22 Fe N12
• Title of publication: A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.
• Authors of publication: Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 50
• Pages of publication: 15825 - 15832
• a: 28.873 ± 0.004 Å
• b: 28.873 ± 0.004 Å
• c: 9.3425 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6744.9 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2315
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No