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Information card for entry 7212689
Preview
| Coordinates | 7212689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H34 Br4 N8 Ni O13 |
|---|---|
| Calculated formula | C34 H28 Br4 N8 Ni O13 |
| Title of publication | Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole |
| Authors of publication | Li, Cheng-Peng; Chen, Jing; Du, Miao |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 12 |
| Pages of publication | 4392 |
| a | 7.9351 ± 0.0004 Å |
| b | 11.3444 ± 0.0005 Å |
| c | 12.949 ± 0.0006 Å |
| α | 100.774 ± 0.001° |
| β | 107.342 ± 0.001° |
| γ | 101.24 ± 0.001° |
| Cell volume | 1053.28 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180457 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26. |
7212689.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 {}' |
7212689.cif |
| 93230 | 2014-01-12 | cif/ Adding structures of 7212688, 7212689, 7212690, 7212691, 7212692, 7212693, 7212694, 7212695 via cif-deposit CGI script. |
7212689.cif |
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