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Information card for entry 2108139
Preview
| Coordinates | 2108139.cif |
|---|---|
| Structure factors | 2108139.hkl |
| Original IUCr paper | HTML |
| Formula | C13 H15 Co N2 O7 |
|---|---|
| Calculated formula | C13 H15 Co N2 O7 |
| Title of publication | Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction |
| Authors of publication | Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| Pages of publication | 669 - 674 |
| a | 12.655 ± 0.003 Å |
| b | 7.6693 ± 0.0019 Å |
| c | 15.934 ± 0.004 Å |
| α | 90° |
| β | 106.636 ± 0.005° |
| γ | 90° |
| Cell volume | 1481.7 ± 0.6 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1163 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.40651 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199402 (current) | 2017-07-29 | cif/ hkl/ Adding structures of 2108139, 2108140, 2108141 via cif-deposit CGI script. |
2108139.cif 2108139.hkl |
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Users of the data should acknowledge the original authors of the
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