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Information card for entry 7238313
Preview
| Coordinates | 7238313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H26 Cu F12 N6 P2 |
|---|---|
| Calculated formula | C29 H26 Cu F12 N6 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 | 14.222 ± 0.003 Å |
| b | 28.141 ± 0.006 Å |
| c | 16.88 ± 0.003 Å |
| α | 90° |
| β | 102.59 ± 0.03° |
| γ | 90° |
| Cell volume | 6593 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7238313.cif |
| 244115 | 2019-11-28 | cif/ Adding structures of 7238313, 7238314, 7238315, 7238316, 7238317, 7238318, 7238319 via cif-deposit CGI script. |
7238313.cif |
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Users of the data should acknowledge the original authors of the
structural data.