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Information card for entry 7209533
Preview
| Coordinates | 7209533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H76 Cl Cu5 N20 O38.5 V16 |
|---|---|
| Calculated formula | C78 H66 Cl Cu5 N20 O38.5 V16 |
| Title of publication | Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands |
| Authors of publication | Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 15 |
| Pages of publication | 2783 |
| a | 27.6 ± 0.004 Å |
| b | 27.6 ± 0.004 Å |
| c | 26.7 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20339 ± 6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 98 |
| Hermann-Mauguin space group symbol | I 41 2 2 |
| Hall space group symbol | I 4bw 2bw |
| Residual factor for all reflections | 0.1116 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1861 |
| Weighted residual factors for all reflections included in the refinement | 0.2084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180426 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/95. |
7209533.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 {}' |
7209533.cif |
| 86013 | 2013-05-09 | cif/ Adding structures of 7209533, 7209534 via cif-deposit CGI script. |
7209533.cif |
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Users of the data should acknowledge the original authors of the
structural data.