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Information card for entry 4518080
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Coordinates | 4518080.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H22 In O8 |
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Calculated formula | C44 H22 In O8 |
Title of publication | Tuning the Atrazine Binding Sites in an Indium-Based Flexible Metal-Organic Framework. |
Authors of publication | Chen, Yongwei; Zhang, Xuan; Chen, Haoyuan; Drout, Riki J.; Chen, Zhijie; Mian, Mohammad Rasel; Maldonado, Rodrigo R.; Ma, Kaikai; Wang, Xingjie; Xia, Qibin; Li, Zhong; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K. |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2020 |
a | 13.8385 ± 0.0016 Å |
b | 29.32 ± 0.003 Å |
c | 30.758 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12480 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 66 |
Hermann-Mauguin space group symbol | C c c m |
Hall space group symbol | -C 2 2c |
Residual factor for all reflections | 0.0894 |
Residual factor for significantly intense reflections | 0.083 |
Weighted residual factors for significantly intense reflections | 0.2502 |
Weighted residual factors for all reflections included in the refinement | 0.2591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518080.html
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Users of the data should acknowledge the original authors of the
structural data.