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Information card for entry 4518813
Preview
Coordinates | 4518813.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H91 Cl Cu6 N10 O39 S7 Sr |
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Calculated formula | C42.999 Cl0.9999 Cu6 N9.9996 O24 S6.9999 Sr |
Title of publication | Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks. |
Authors of publication | Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2021 |
Journal volume | 13 |
Journal issue | 24 |
Pages of publication | 28424 - 28432 |
a | 18.009 ± 0.0008 Å |
b | 18.009 ± 0.0008 Å |
c | 13.0756 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3672.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.0949 |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.2149 |
Weighted residual factors for all reflections included in the refinement | 0.2274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.575 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266947 (current) | 2021-07-04 | cif/ Updating files of 4518812, 4518813, 4518814 Original log message: Adding full bibliography for 4518812--4518814.cif. |
4518813.cif |
266440 | 2021-06-15 | cif/ Adding structures of 4518813 via cif-deposit CGI script. |
4518813.cif |
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Users of the data should acknowledge the original authors of the
structural data.