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Information card for entry 2108141
Preview
| Coordinates | 2108141.cif |
|---|---|
| Structure factors | 2108141.hkl |
| Original paper (by DOI) | HTML |
| Formula | C15 H15 Co N2 O5 |
|---|---|
| Calculated formula | C15 H15 Co N2 O5 |
| 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 | 12.631 ± 0.002 Å |
| b | 7.5996 ± 0.0014 Å |
| c | 16.109 ± 0.003 Å |
| α | 90° |
| β | 109.223 ± 0.003° |
| γ | 90° |
| Cell volume | 1460.1 ± 0.4 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 | 0.1074 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1623 |
| Weighted residual factors for all reflections included in the refinement | 0.1788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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. |
2108141.cif 2108141.hkl |
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Users of the data should acknowledge the original authors of the
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