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Information card for entry 7206752
Preview
| Coordinates | 7206752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C169 H142 Cl3 I24 N32 O12 Zn12 |
|---|---|
| Calculated formula | C169.08 H118.08 Cl3 I24 N31.92 O12 Zn12 |
| Title of publication | Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity? |
| Authors of publication | Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 22 |
| Pages of publication | 6864 |
| a | 38.903 ± 0.005 Å |
| b | 38.903 ± 0.005 Å |
| c | 16.736 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 21936 ± 6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1799 |
| Residual factor for significantly intense reflections | 0.1571 |
| Weighted residual factors for significantly intense reflections | 0.3837 |
| Weighted residual factors for all reflections included in the refinement | 0.3959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.582 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7206752.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206752.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206752.cif |
| 30001 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206751, 7206752, 7206753, 7206754, 7206755, 7206756 via cif-deposit CGI script. |
7206752.cif |
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Users of the data should acknowledge the original authors of the
structural data.