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Information card for entry 7111674
Preview
| Coordinates | 7111674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H83 F12 N19 O13 Pd2 S4 |
|---|---|
| Calculated formula | C106 H83 F12 N19 O13 Pd2 S4 |
| Title of publication | Two-component control of guest binding in a self-assembled cage molecule |
| Authors of publication | Liao, Puhong; Langloss, Brian W.; Johnson, Amber M.; Knudsen, Eric R.; Tham, Fook S.; Julian, Ryan R.; Hooley, Richard J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 27 |
| Pages of publication | 4932 - 4934 |
| a | 27.6097 ± 0.0022 Å |
| b | 15.0085 ± 0.0012 Å |
| c | 14.2322 ± 0.0011 Å |
| α | 90° |
| β | 107.657 ± 0.0011° |
| γ | 90° |
| Cell volume | 5619.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180230 (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 7/11/16. |
7111674.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 {}' |
7111674.cif |
| 96728 | 2014-01-29 | cif/ Adding structures of 7111674 via cif-deposit CGI script. |
7111674.cif |
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Users of the data should acknowledge the original authors of the
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