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Information card for entry 4122348
Preview
| Coordinates | 4122348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cu N6 O8 |
|---|---|
| Calculated formula | C18 H20 Cu N6 O8 |
| SMILES | C(=O)(c1ccc(cc1)n1c[n](cn1)[Cu]([OH2])([n]1cnn(c2ccc(C(=O)[O-])cc2)c1)([OH2])([OH2])[OH2])[O-] |
| Title of publication | Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity. |
| Authors of publication | Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 31 |
| Pages of publication | 10906 - 10909 |
| a | 6.221 ± 0.0008 Å |
| b | 6.9277 ± 0.0009 Å |
| c | 12.0077 ± 0.0016 Å |
| α | 81.138 ± 0.002° |
| β | 88.858 ± 0.001° |
| γ | 71.3 ± 0.002° |
| Cell volume | 484.09 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179025 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/23. |
4122348.cif |
| 122994 | 2014-09-06 | cif/ Updating files of 4122342, 4122343, 4122344, 4122345, 4122346, 4122347, 4122348 Original log message: Adding full bibliography for 4122342--4122348.cif. |
4122348.cif |
| 120894 | 2014-07-30 | cif/ Adding structures of 4122342, 4122343, 4122344, 4122345, 4122346, 4122347, 4122348 via cif-deposit CGI script. |
4122348.cif |
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