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Information card for entry 8000379
Preview
| Coordinates | 8000379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | AMU1 |
|---|---|
| Chemical name | Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O |
| Formula | C14 H18 Co N2 O5 |
| Calculated formula | C14 H18 Co N2 O5 |
| Title of publication | Piezochromic Porous Metal-Organic Framework. |
| Authors of publication | Andrzejewski, Michał; Katrusiak, Andrzej |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 279 - 284 |
| a | 5.8059 ± 0.0011 Å |
| b | 7.0187 ± 0.0007 Å |
| c | 10.556 ± 0.003 Å |
| α | 90.42 ± 0.02° |
| β | 96.96 ± 0.03° |
| γ | 95.048 ± 0.012° |
| Cell volume | 425.26 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.2303 |
| Residual factor for significantly intense reflections | 0.1713 |
| Weighted residual factors for significantly intense reflections | 0.3955 |
| Weighted residual factors for all reflections included in the refinement | 0.4355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.521 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236652 (current) | 2019-11-24 | cif/ Adding structures of 8000356, 8000357, 8000358, 8000359, 8000360, 8000361, 8000362, 8000363, 8000364, 8000365, 8000366, 8000367, 8000368, 8000369, 8000370, 8000371, 8000372, 8000373, 8000374, 8000375, 8000376, 8000377, 8000378, 8000379, 8000380, 8000381, 8000382, 8000383, 8000384, 8000385, 8000386, 8000387, 8000388 via cif-deposit CGI script. |
8000379.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.