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Information card for entry 4514497
Preview
Coordinates | 4514497.cif |
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Original paper (by DOI) | HTML |
Formula | C111 H69 N26 O19 Zn8 |
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Calculated formula | C111 H69.0012 N26 O19.0006 Zn8.0006 |
Title of publication | Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor. |
Authors of publication | Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2019 |
Journal volume | 11 |
Journal issue | 42 |
Pages of publication | 38503 - 38509 |
a | 24.0332 ± 0.0005 Å |
b | 23.8074 ± 0.0005 Å |
c | 34.8396 ± 0.0008 Å |
α | 90° |
β | 97.346 ± 0.002° |
γ | 90° |
Cell volume | 19770.5 ± 0.7 Å3 |
Cell temperature | 100 ± 0.15 K |
Ambient diffraction temperature | 100 ± 0.15 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 | 0.1079 |
Residual factor for significantly intense reflections | 0.0864 |
Weighted residual factors for significantly intense reflections | 0.2396 |
Weighted residual factors for all reflections included in the refinement | 0.2626 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219685 (current) | 2019-10-28 | cif/ Adding structures of 4514497, 4514498, 4514499 via cif-deposit CGI script. |
4514497.cif |
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Users of the data should acknowledge the original authors of the
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