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Information card for entry 7708530
Preview
Coordinates | 7708530.cif |
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Original paper (by DOI) | HTML |
Formula | C78 H53 Cl Cu5 N15 O20 |
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Calculated formula | C78 H53 Cl Cu5 N15 O20 |
Title of publication | Dual-emission 3D supramolecular framework hydrogel beads: highly selective detection of antibiotics and mechanism research |
Authors of publication | Zhu, Ke; Fan, Ruiqing; Zhang, Jian; Jiang, Xin; Jia, Wenwen; Wang, Bowen; Lu, Haoyang; Wu, Jingkun; Wang, Ping; Yang, Yulin |
Journal of publication | Dalton Transactions |
Year of publication | 2021 |
a | 13.832 ± 0.002 Å |
b | 14.555 ± 0.003 Å |
c | 20.138 ± 0.004 Å |
α | 84.923 ± 0.006° |
β | 80.195 ± 0.006° |
γ | 87.158 ± 0.006° |
Cell volume | 3976.9 ± 1.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0734 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.156 |
Weighted residual factors for all reflections included in the refinement | 0.173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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269857 (current) | 2021-10-08 | cif/ Adding structures of 7708530, 7708531 via cif-deposit CGI script. |
7708530.cif |
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Users of the data should acknowledge the original authors of the
structural data.