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Information card for entry 7116024
Preview
| Coordinates | 7116024.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H152 Cu16 N40 O64 |
|---|---|
| Calculated formula | C100 H136 Cu16 N40 O64 |
| Title of publication | Circular serendipity: in situ ligand transformation for the self-assembly of an hexadecametallic [CuII16] wheel |
| Authors of publication | Andreas K. Kostopoulos; Athanassios D. Katsenis; Jamie M. Frost; Vadim G. Kessler; Euan K. Brechin; Giannis S. Papaefstathiou |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 15002 |
| a | 21.974 ± 0.003 Å |
| b | 21.974 ± 0.003 Å |
| c | 16.49 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7962 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 126 |
| Hermann-Mauguin space group symbol | P 4/n n c :2 |
| Hall space group symbol | -P 4a 2bc |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1549 |
| Weighted residual factors for all reflections included in the refinement | 0.1639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180274 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60. |
7116024.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7116024.cif |
| 128785 | 2014-12-16 | cif/ Adding structures of 7116024, 7116025 via cif-deposit CGI script. |
7116024.cif |
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Users of the data should acknowledge the original authors of the
structural data.