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Information card for entry 2108361
Preview
| Coordinates | 2108361.cif |
|---|---|
| Structure factors | 2108361.hkl |
| Original paper (by DOI) | HTML |
| Formula | C16 H22 N10 O10 |
|---|---|
| Calculated formula | C16 H22 N10 O10 |
| SMILES | N1C(=O)NC(=O)C=C1[O-].N1C(=O)NC(=O)CC1=O.[nH]1c(=O)nc(N)cc1.[nH]1c(=O)[nH+]c(N)cc1.O.O |
| Title of publication | A proposal for coherent nomenclature of multicomponent crystals |
| Authors of publication | Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 1 |
| a | 6.7486 ± 0.0003 Å |
| b | 10.5419 ± 0.0004 Å |
| c | 15.658 ± 0.0007 Å |
| α | 81.293 ± 0.003° |
| β | 79.732 ± 0.002° |
| γ | 79.974 ± 0.003° |
| Cell volume | 1071.02 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213284 (current) | 2019-01-24 | cif/ hkl/ Adding structures of 2108361 via cif-deposit CGI script. |
2108361.cif 2108361.hkl |
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Users of the data should acknowledge the original authors of the
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