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Information card for entry 4511066
Preview
| Coordinates | 4511066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H7 Cd N2 O5 |
|---|---|
| Calculated formula | C12 H7 Cd N2 O5 |
| Title of publication | Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties |
| Authors of publication | Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 1481 |
| a | 13.2087 ± 0.0015 Å |
| b | 13.0913 ± 0.0015 Å |
| c | 26.916 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4654.3 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0751 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1658 |
| Weighted residual factors for all reflections included in the refinement | 0.1763 |
| 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 |
|---|---|---|---|
| 179657 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10. |
4511066.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 {}' |
4511066.cif |
| 114683 | 2014-05-29 | cif/ Adding structures of 4511064, 4511065, 4511066, 4511067, 4511068, 4511069 via cif-deposit CGI script. |
4511066.cif |
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