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Information card for entry 7215944
Preview
| Coordinates | 7215944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H34 Br2 Cu2 I2 N4 O8 |
|---|---|
| Calculated formula | C48 H34 Br2 Cu2 I2 N4 O8 |
| Title of publication | 1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions |
| Authors of publication | Mukherjee, Gargi; Biradha, Kumar |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 22 |
| Pages of publication | 4701 |
| a | 9.6255 ± 0.0019 Å |
| b | 8.448 ± 0.0017 Å |
| c | 29.784 ± 0.006 Å |
| α | 90° |
| β | 94.921 ± 0.007° |
| γ | 90° |
| Cell volume | 2413 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1002 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.2009 |
| Weighted residual factors for all reflections included in the refinement | 0.2177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.397 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180490 (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 7/21/59. |
7215944.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 {}' |
7215944.cif |
| 113859 | 2014-05-16 | cif/ Adding structures of 7215941, 7215942, 7215943, 7215944, 7215945, 7215946 via cif-deposit CGI script. |
7215944.cif |
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