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Information card for entry 4511704
Preview
| Coordinates | 4511704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 Cu N4 O8 |
|---|---|
| Calculated formula | C20 H22 Cu N4 O8 |
| SMILES | c1cc(ccc1c1c[n](c[nH]1)[Cu]([n]1cc(c2ccc(cc2)C(=O)[O-])[nH]c1)([OH2])([OH2])([OH2])[OH2])C(=O)[O-] |
| Title of publication | New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties |
| Authors of publication | Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 3727 |
| a | 6.3708 ± 0.0007 Å |
| b | 6.8768 ± 0.0008 Å |
| c | 12.2249 ± 0.0014 Å |
| α | 95.797 ± 0.002° |
| β | 97.358 ± 0.002° |
| γ | 105.452 ± 0.002° |
| Cell volume | 506.83 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0347 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179664 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/17. |
4511704.cif |
| 122820 | 2014-09-06 | cif/ Updating files of 4511704, 4511705, 4511706, 4511707, 4511708, 4511709, 4511710, 4511711, 4511712, 4511713, 4511714 Original log message: Adding full bibliography for 4511704--4511714.cif. |
4511704.cif |
| 120828 | 2014-07-29 | cif/ Adding structures of 4511704, 4511705, 4511706, 4511707, 4511708, 4511709, 4511710, 4511711, 4511712, 4511713, 4511714 via cif-deposit CGI script. |
4511704.cif |
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Users of the data should acknowledge the original authors of the
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