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Information card for entry 4501330
Preview
| Coordinates | 4501330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H28 Cd N4 O6 |
|---|---|
| Calculated formula | C26 H28 Cd N4 O6 |
| Title of publication | A Series of Metal–Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties |
| Authors of publication | Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 5540 |
| a | 8.6045 ± 0.0003 Å |
| b | 29.8829 ± 0.001 Å |
| c | 11.1362 ± 0.0004 Å |
| α | 90° |
| β | 112.399 ± 0.004° |
| γ | 90° |
| Cell volume | 2647.38 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4501330.cif |
| 179544 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13. |
4501330.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501330.cif |
| 34866 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4501328, 4501329, 4501330, 4501331, 4501332, 4501333, 4501334, 4501335, 4501336, 4501337, 4501338, 4501339, 4501340 via cif-deposit CGI script. |
4501330.cif |
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Users of the data should acknowledge the original authors of the
structural data.