Information card for entry 7119575

Structure parameters

• Formula: C46 H47 Fe2 N4 Na3 O20
• Calculated formula: C46 H47 Fe2 N4 Na3 O20
• Title of publication: Two microporous Fe-based MOFs with multiple active sites for selective gas adsorption.
• Authors of publication: Li, Yun-Wu; Yan, Hui; Hu, Tong-Liang; Ma, Hui-Yan; Li, Da-Cheng; Wang, Su-Na; Yao, Qing-Xia; Dou, Jian-Min; Xu, Jian; Bu, Xian-He
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 2394 - 2397
• a: 13.543 ± 0.0012 Å
• b: 19.3401 ± 0.0017 Å
• c: 23.223 ± 0.002 Å
• α: 90°
• β: 123.452 ± 0.003°
• γ: 90°
• Cell volume: 5075 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2013
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.2693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No