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Information card for entry 4123113
Preview
| Coordinates | 4123113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H72 Cl3 Fe3 N12 O24 Zr6 |
|---|---|
| Calculated formula | C144 H72 Cl3 Fe3 N12 O24 Zr5.94 |
| Title of publication | A Highly Stable Porphyrinic Zirconium Metal-Organic Frame-work with shp-a Topology. |
| Authors of publication | Feng, Dawei; Gu, Zhi-Yuan; Chen, Ying-Pin; Park, Jihye; Wei, Zhangwen; Sun, Yujia; Bosch, Mathieu; Yuan, Shuai; Zhou, Hong-Cai |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Pages of publication | 141212123922008 |
| a | 21.43 ± 0.03 Å |
| b | 21.43 ± 0.03 Å |
| c | 16.89 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6717 ± 15 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 175 |
| Hermann-Mauguin space group symbol | P 6/m |
| Hall space group symbol | -P 6 |
| Residual factor for all reflections | 0.1922 |
| Residual factor for significantly intense reflections | 0.1331 |
| Weighted residual factors for significantly intense reflections | 0.3131 |
| Weighted residual factors for all reflections included in the refinement | 0.3473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179033 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/31. |
4123113.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 {}' |
4123113.cif |
| 128650 | 2014-12-13 | cif/ Adding structures of 4123113 via cif-deposit CGI script. |
4123113.cif |
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