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Information card for entry 7238319
Preview
| Coordinates | 7238319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C115 H108.5 Cu4 F48 N21.5 O4 P8 S4 |
|---|---|
| Calculated formula | C115 H102.5 Cu4 F48 N21.5 O4 P8 S4 |
| 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 | 11.866 ± 0.002 Å |
| b | 14.572 ± 0.003 Å |
| c | 22.212 ± 0.004 Å |
| α | 86.03 ± 0.03° |
| β | 76.02 ± 0.03° |
| γ | 88.28 ± 0.03° |
| Cell volume | 3717.7 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1722 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244115 (current) | 2019-11-28 | cif/ Adding structures of 7238313, 7238314, 7238315, 7238316, 7238317, 7238318, 7238319 via cif-deposit CGI script. |
7238319.cif |
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Users of the data should acknowledge the original authors of the
structural data.