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Information card for entry 4127350
Preview
Coordinates | 4127350.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C144 H192 Cu6 N76 Ni8 O12 |
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Calculated formula | C144 H192 Cu6 N76 Ni8 O12 |
Title of publication | Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State. |
Authors of publication | Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 29 |
Pages of publication | 11621 - 11627 |
a | 17.00574 ± 0.00007 Å |
b | 17.00574 ± 0.00007 Å |
c | 33.0599 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9560.76 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 104 |
Hermann-Mauguin space group symbol | P 4 n c |
Hall space group symbol | P 4 -2n |
Residual factor for all reflections | 0.0662 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1831 |
Weighted residual factors for all reflections included in the refinement | 0.1867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4127350.html
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Users of the data should acknowledge the original authors of the
structural data.