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Information card for entry 4501426
Preview
Coordinates | 4501426.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H50 Br2 K2 N22 O21 |
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Calculated formula | C42 H40 Br2 K2 N22 O20 |
Title of publication | Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol |
Authors of publication | Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 5712 |
a | 16.725 ± 0.003 Å |
b | 11.85 ± 0.002 Å |
c | 13.514 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2678.4 ± 0.8 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4501426.html
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Users of the data should acknowledge the original authors of the
structural data.