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Information card for entry 7201243
Preview
| Coordinates | 7201243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H84 Cl5 Cu4 N14 O27.5 |
|---|---|
| Calculated formula | C39 H73 Cl5 Cu4 N14 O27.5 |
| Title of publication | Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties |
| Authors of publication | Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 2054 |
| a | 43.2705 ± 0.0009 Å |
| b | 7.9511 ± 0.0001 Å |
| c | 20.8778 ± 0.0004 Å |
| α | 90° |
| β | 114.64 ± 0.001° |
| γ | 90° |
| Cell volume | 6528.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7201243.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201243.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201243.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201243.cif |
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Users of the data should acknowledge the original authors of the
structural data.