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Information card for entry 7121606
Preview
Coordinates | 7121606.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H49 Cl Cu2 N14 O14 |
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Calculated formula | C58 H34 Cl Cu2 N14 O14 |
Title of publication | Guest exchange in a porous cucurbit[6]uril-based metal-organic rotaxane framework probed by NMR and X-ray crystallography. |
Authors of publication | Wu, Xue-Song; Wang, Xin-Long; Zhu, Fu-Long; Bao, Hong-Fei; Qin, Chao; Su, Zhong-Min |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 43 |
Pages of publication | 5474 - 5477 |
a | 16.261 ± 0.011 Å |
b | 29.33 ± 0.02 Å |
c | 14.304 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6822 ± 8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 6 |
Space group number | 58 |
Hermann-Mauguin space group symbol | P n n m |
Hall space group symbol | -P 2 2n |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1604 |
Weighted residual factors for all reflections included in the refinement | 0.1756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7121606.html
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