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Information card for entry 7206751
Preview
| Coordinates | 7206751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C138 H118 Cl12 N18 O14 Zn6 |
|---|---|
| Calculated formula | C138 H90 Cl12 N18 O14 Zn6 |
| 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 | 8.793 ± 0.002 Å |
| b | 23.662 ± 0.006 Å |
| c | 24.672 ± 0.006 Å |
| α | 68.897 ± 0.019° |
| β | 87.31 ± 0.02° |
| γ | 80.27 ± 0.02° |
| Cell volume | 4720 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1116 |
| Residual factor for significantly intense reflections | 0.1045 |
| Weighted residual factors for significantly intense reflections | 0.2965 |
| Weighted residual factors for all reflections included in the refinement | 0.3034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7206751.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206751.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206751.cif |
| 30001 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206751, 7206752, 7206753, 7206754, 7206755, 7206756 via cif-deposit CGI script. |
7206751.cif |
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Users of the data should acknowledge the original authors of the
structural data.