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Information card for entry 7061204
Preview
Coordinates | 7061204.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H88 Cu3 N8 O29 |
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Calculated formula | C46 H22 Cu3 O22 |
Title of publication | Two porous three-dimensional (3D) metal–organic frameworks based on diverse metal clusters: selective sensing of Fe3+ and Cr2O72− |
Authors of publication | Yan, Yang-Tian; Wu, Yun-long; Zheng, Li-Na; Wei-Cai,; Tang, Peng-Fei; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 9 |
Pages of publication | 4292 - 4299 |
a | 30.462 ± 0.004 Å |
b | 28.777 ± 0.004 Å |
c | 12.1091 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10615 ± 3 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 74 |
Hermann-Mauguin space group symbol | I m m a |
Hall space group symbol | -I 2b 2 |
Residual factor for all reflections | 0.0655 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1165 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
273407 (current) | 2022-03-05 | cif/ Updating files of 7061204, 7061205 Original log message: Adding full bibliography for 7061204--7061205.cif. |
7061204.cif |
272146 | 2022-01-20 | cif/ Adding structures of 7061204, 7061205 via cif-deposit CGI script. |
7061204.cif |
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Users of the data should acknowledge the original authors of the
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