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Information card for entry 7215291
Preview
| Coordinates | 7215291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N3 O2 |
|---|---|
| Calculated formula | C23 H19 N3 O2 |
| SMILES | n1c(c2ccncc2)cc(cc1c1ccncc1)c1cc(OC)c(OC)cc1 |
| Title of publication | Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation |
| Authors of publication | Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 5012 |
| a | 9.4682 ± 0.0014 Å |
| b | 10.4331 ± 0.0017 Å |
| c | 10.7425 ± 0.0017 Å |
| α | 67.349 ± 0.009° |
| β | 73.251 ± 0.009° |
| γ | 85.916 ± 0.009° |
| Cell volume | 936.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0751 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| 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. |
7215291.cif |
| 180483 | 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 7/21/52. |
7215291.cif |
| 116194 | 2014-06-07 | cif/ Updating files of 7215287, 7215288, 7215289, 7215290, 7215291 Original log message: Adding full bibliography for 7215287--7215291.cif. |
7215291.cif |
| 111723 | 2014-04-26 | cif/ Adding structures of 7215287, 7215288, 7215289, 7215290, 7215291 via cif-deposit CGI script. |
7215291.cif |
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Users of the data should acknowledge the original authors of the
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