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Information card for entry 4121902
Preview
| Coordinates | 4121902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H25 Cr3 N0 O12 |
|---|---|
| Calculated formula | C32 H29 Cr3 O11 |
| Title of publication | Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation. |
| Authors of publication | Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 22 |
| Pages of publication | 7813 |
| a | 40.881 ± 0.008 Å |
| b | 40.881 ± 0.008 Å |
| c | 40.881 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 68323 ± 2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.3268 |
| Residual factor for significantly intense reflections | 0.1795 |
| Weighted residual factors for significantly intense reflections | 0.3935 |
| Weighted residual factors for all reflections included in the refinement | 0.4368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179021 (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 4/12/19. |
4121902.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 {}' |
4121902.cif |
| 115795 | 2014-06-05 | cif/ Updating files of 4121900, 4121901, 4121902 Original log message: Adding full bibliography for 4121900--4121902.cif. |
4121902.cif |
| 114533 | 2014-05-25 | cif/ Adding structures of 4121902 via cif-deposit CGI script. |
4121902.cif |
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