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Information card for entry 8101875
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| Coordinates | 8101875.cif |
|---|
| Chemical name | bis(1,10-phenanthroline)copper(I) dichlorocuprate(I) |
|---|---|
| Formula | C24 H16 Cl2 Cu2 N4 |
| Calculated formula | C24 H16 Cl2 Cu2 N4 |
| SMILES | [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[Cu](Cl)[Cl-] |
| Title of publication | Crystal structure of bis(1,10-phenanthroline)copper(I) dichlorocuprate (I), [Cu(C~12~H~8~N~2~)~2~][CuCl~2~] |
| Authors of publication | Wang, J.-G.; Kang, H.-X.; Zheng, X.-Y. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 4 |
| Pages of publication | 597 - 598 |
| a | 19.709 ± 0.003 Å |
| b | 14.83 ± 0.003 Å |
| c | 15.208 ± 0.003 Å |
| α | 90° |
| β | 103.096 ± 0.002° |
| γ | 90° |
| Cell volume | 4329.5 ± 1.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0377 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 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. |
8101875.cif |
| 107934 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101875.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101875.cif |
| 12614 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101875 via cif-deposit CGI script. |
8101875.cif |
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Users of the data should acknowledge the original authors of the
structural data.