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Information card for entry 4338121
Preview
| Coordinates | 4338121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N4 O4 Zn |
|---|---|
| Calculated formula | C14 H14 N4 O4 Zn |
| Title of publication | A Highly Stable 3D Acentric Zinc Metal-Organic Framework Based on Two Symmetrical Flexible Ligands: High Second-Harmonic-Generation Efficiency and Tunable Photoluminescence. |
| Authors of publication | Guo, Jin-Shuang; Xu, Gang; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 4278 - 4280 |
| a | 15.481 ± 0.002 Å |
| b | 12.2437 ± 0.0011 Å |
| c | 9.4722 ± 0.0013 Å |
| α | 90° |
| β | 118.609 ± 0.005° |
| γ | 90° |
| Cell volume | 1576.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
4338121.cif |
| 179484 | 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 4/33/81. |
4338121.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4338121.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 {}' |
4338121.cif |
| 115761 | 2014-06-05 | cif/ Updating files of 4338121 Original log message: Adding full bibliography for 4338121.cif. |
4338121.cif |
| 109473 | 2014-04-15 | cif/ Adding structures of 4338121 via cif-deposit CGI script. |
4338121.cif |
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