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Information card for entry 7060104
Preview
Coordinates | 7060104.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H74 Cl2 N8 O22 Zr6 |
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Calculated formula | C78 H74 Cl2 N8 O22 Zr6 |
Title of publication | Self-assembly of zirconocene-based metal‒organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture |
Authors of publication | Chen, Siyuan; Cheng, Shuangjing; Zhao, Liang; Sun, Chunyi; Qin, Chao; Su, Zhongmin |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 48 |
Pages of publication | 21255 - 21260 |
a | 39.583 ± 0.005 Å |
b | 11.3619 ± 0.0016 Å |
c | 19.236 ± 0.003 Å |
α | 90° |
β | 91.681 ± 0.008° |
γ | 90° |
Cell volume | 8647 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.02 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1624 |
Residual factor for significantly intense reflections | 0.0879 |
Weighted residual factors for significantly intense reflections | 0.1809 |
Weighted residual factors for all reflections included in the refinement | 0.2102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060104.html
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Users of the data should acknowledge the original authors of the
structural data.