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Information card for entry 7211218
Preview
| Coordinates | 7211218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C118 H103 F24 N31 O33 S8 Zn4 |
|---|---|
| Calculated formula | C118 H80 F24 N31 O33 S8 Zn4 |
| Title of publication | Tuning the planarity of [2 ×2] grids |
| Authors of publication | Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 44 |
| Pages of publication | 9128 |
| a | 29.541 ± 0.006 Å |
| b | 18.148 ± 0.004 Å |
| c | 27.02 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14486 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 55 |
| Hermann-Mauguin space group symbol | P b a m |
| Hall space group symbol | -P 2 2ab |
| Residual factor for all reflections | 0.1333 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.2242 |
| Weighted residual factors for all reflections included in the refinement | 0.2606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180443 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/12. |
7211218.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 {}' |
7211218.cif |
| 90231 | 2013-11-17 | cif/ Adding structures of 7211215, 7211216, 7211217, 7211218 via cif-deposit CGI script. |
7211218.cif |
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Users of the data should acknowledge the original authors of the
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