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Information card for entry 4505671
Preview
| Coordinates | 4505671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H18 Ag F3 N4 O8 S |
|---|---|
| Calculated formula | C32 H18 Ag F3 N4 O8 S |
| Title of publication | 1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6) |
| Authors of publication | Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2003 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | 331 |
| a | 17.4002 ± 0.0013 Å |
| b | 11.1573 ± 0.0007 Å |
| c | 17.4202 ± 0.0013 Å |
| α | 90° |
| β | 113.479 ± 0.005° |
| γ | 90° |
| Cell volume | 3101.9 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179591 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/56. |
4505671.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 {}' |
4505671.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505671.cif |
| 53683 | 2012-04-20 | cif/ Adding structures of 4505671, 4505672, 4505673 via cif-deposit CGI script. |
4505671.cif |
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Users of the data should acknowledge the original authors of the
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