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Information card for entry 7238318
Preview
| Coordinates | 7238318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H27 Cu F12 N5 P2 |
|---|---|
| Calculated formula | C37 H27 Cu F12 N5 P2 |
| Title of publication | When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry |
| Authors of publication | Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 3163 |
| a | 11.257 ± 0.002 Å |
| b | 13.441 ± 0.003 Å |
| c | 24.554 ± 0.005 Å |
| α | 90° |
| β | 101.57 ± 0.03° |
| γ | 90° |
| Cell volume | 3639.7 ± 1.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0557 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238318.cif |
| 244115 | 2019-11-28 | cif/ Adding structures of 7238313, 7238314, 7238315, 7238316, 7238317, 7238318, 7238319 via cif-deposit CGI script. |
7238318.cif |
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Users of the data should acknowledge the original authors of the
structural data.