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Information card for entry 8103380
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| Coordinates | 8103380.cif |
|---|
| Chemical name | catena-[m2-bis(biphenyl-2,2'-dicarboxylato-O:O')]-(m2-pyrazine-N:N')dicobalt(II) |
|---|---|
| Formula | C16 H10 Co N O4 |
| Calculated formula | C16 H10 Co N O4 |
| Title of publication | Crystal structure of catena-[m2-bis(biphenyl-2,2'-dicarboxylato-O:O')]-(m2-pyrazine-N:N')dicobalt(II), Co(C4H4N2)(C14H8O4)2 |
| Authors of publication | Songbai Han; Yuntao Liu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2012 |
| Journal volume | 227 |
| Journal issue | 2 |
| Pages of publication | 269 |
| a | 7.295 ± 0.003 Å |
| b | 9.469 ± 0.004 Å |
| c | 11.046 ± 0.004 Å |
| α | 83.435 ± 0.007° |
| β | 73.225 ± 0.005° |
| γ | 69.766 ± 0.006° |
| Cell volume | 685.4 ± 0.5 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0799 |
| Weighted residual factors for significantly intense reflections | 0.2142 |
| Weighted residual factors for all reflections included in the refinement | 0.2251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103380.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 {}' |
8103380.cif |
| 62141 | 2012-07-07 | cif/ Adding structures of 8103380 via cif-deposit CGI script. |
8103380.cif |
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Users of the data should acknowledge the original authors of the
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