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Information card for entry 4512090
Preview
| Coordinates | 4512090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 Br2 Cu2 I2 S2 |
|---|---|
| Calculated formula | C13 H10 Br2 Cu2 I2 S2 |
| Title of publication | Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers |
| Authors of publication | Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 5373 |
| a | 20.7724 ± 0.0015 Å |
| b | 13.58 ± 0.001 Å |
| c | 15.6132 ± 0.001 Å |
| α | 90° |
| β | 123.529 ± 0.002° |
| γ | 90° |
| Cell volume | 3671.5 ± 0.5 Å3 |
| Cell temperature | 195 K |
| Ambient diffraction temperature | 195 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα~1~ |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179667 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/20. |
4512090.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 {}' |
4512090.cif |
| 126848 | 2014-11-11 | cif/ Updating files of 4512075, 4512076, 4512077, 4512078, 4512079, 4512080, 4512081, 4512082, 4512083, 4512084, 4512085, 4512086, 4512087, 4512088, 4512089, 4512090, 4512091, 4512092 Original log message: Adding full bibliography for 4512075--4512092.cif. |
4512090.cif |
| 124963 | 2014-10-07 | cif/ Adding structures of 4512084, 4512085, 4512086, 4512087, 4512088, 4512089, 4512090, 4512091, 4512092 via cif-deposit CGI script. |
4512090.cif |
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Users of the data should acknowledge the original authors of the
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