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Information card for entry 4334243
Preview
| Coordinates | 4334243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H41 N8 O12 Pr |
|---|---|
| Calculated formula | C27 H41 N8 O12 Pr |
| Title of publication | Cation Sensing by a Luminescent Metal-Organic Framework with Multiple Lewis Basic Sites |
| Authors of publication | Qun Tang; Shuxia Liu; Yiwei Liu; Jun Miao; Shujun Li; Li Zhang; Zhan Shi; Zhiping Zheng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 2799 - 2801 |
| a | 16.5758 ± 0.0013 Å |
| b | 26.692 ± 0.002 Å |
| c | 8.2402 ± 0.0006 Å |
| α | 90° |
| β | 100.848 ± 0.001° |
| γ | 90° |
| Cell volume | 3580.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179445 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42. |
4334243.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 {}' |
4334243.cif |
| 100058 | 2014-02-04 | cif/ Adding structures of 4334243 via cif-deposit CGI script. |
4334243.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.