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Information card for entry 7241799
Preview
| Coordinates | 7241799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H46 N2 O8 |
|---|---|
| Calculated formula | C46 H46 N2 O8 |
| Title of publication | Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores |
| Authors of publication | Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 3 |
| Pages of publication | 569 - 590 |
| a | 7.67 ± 0.0002 Å |
| b | 8.6982 ± 0.0003 Å |
| c | 16.1026 ± 0.0003 Å |
| α | 97.309 ± 0.002° |
| β | 100.27 ± 0.002° |
| γ | 113.335 ± 0.003° |
| Cell volume | 947.06 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241799.cif |
| 261636 | 2021-02-05 | cif/ Updating files of 7241796, 7241797, 7241798, 7241799, 7241800, 7241801, 7241802, 7241803, 7241804, 7241805, 7241806, 7241807, 7241808, 7241809, 7241810, 7241811, 7241812, 7241813, 7241814, 7241815, 7241816 Original log message: Adding full bibliography for 7241796--7241816.cif. |
7241799.cif |
| 259856 | 2020-12-13 | cif/ Adding structures of 7241796, 7241797, 7241798, 7241799, 7241800, 7241801, 7241802, 7241803, 7241804, 7241805, 7241806, 7241807, 7241808, 7241809, 7241810, 7241811, 7241812, 7241813, 7241814, 7241815, 7241816 via cif-deposit CGI script. |
7241799.cif |
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Users of the data should acknowledge the original authors of the
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