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Information card for entry 7219701
Preview
| Coordinates | 7219701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H25 N3 O8 |
|---|---|
| Calculated formula | C27 H25 N3 O8 |
| SMILES | O=C(OCc1cc(COC(=O)c2ccncc2)cc(COC(=O)c2ccncc2)c1)c1ccncc1.O.O |
| Title of publication | New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties |
| Authors of publication | Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 2583 |
| a | 7.4117 ± 0.0004 Å |
| b | 12.1658 ± 0.0006 Å |
| c | 14.2115 ± 0.0007 Å |
| α | 85.918 ± 0.003° |
| β | 77.087 ± 0.003° |
| γ | 77.944 ± 0.003° |
| Cell volume | 1221.08 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219701.cif |
| 180528 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/97. |
7219701.cif |
| 134920 | 2015-04-06 | cif/ Updating files of 7219701, 7219702, 7219703 Original log message: Adding full bibliography for 7219701--7219703.cif. |
7219701.cif |
| 132639 | 2015-03-03 | cif/ Adding structures of 7219701, 7219702, 7219703 via cif-deposit CGI script. |
7219701.cif |
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Users of the data should acknowledge the original authors of the
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