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Information card for entry 7059056
Preview
| Coordinates | 7059056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H82 N14 O32 P6 |
|---|---|
| Calculated formula | C27 H82 N14 O32 P6 |
| Title of publication | Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand |
| Authors of publication | Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 50.9218 ± 0.001 Å |
| b | 11.2705 ± 0.0004 Å |
| c | 18.591 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10669.6 ± 0.5 Å3 |
| Cell temperature | 120.05 ± 0.1 K |
| Ambient diffraction temperature | 120.05 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1644 |
| Residual factor for significantly intense reflections | 0.1396 |
| Weighted residual factors for significantly intense reflections | 0.2466 |
| Weighted residual factors for all reflections included in the refinement | 0.2588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227935 (current) | 2019-11-16 | cif/ Adding structures of 7059050, 7059051, 7059052, 7059053, 7059054, 7059055, 7059056 via cif-deposit CGI script. |
7059056.cif |
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Users of the data should acknowledge the original authors of the
structural data.