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Information card for entry 7015519
Preview
| Coordinates | 7015519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(2-bromo-3-methylpyridine)dibromocopper (II) |
|---|---|
| Formula | C12 H12 Br4 Cu N2 |
| Calculated formula | C12 H12 Br4 Cu N2 |
| SMILES | Br[Cu]([n]1c(Br)c(ccc1)C)([n]1c(c(ccc1)C)Br)Br |
| Title of publication | Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine]. |
| Authors of publication | Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 16 |
| Pages of publication | 4242 - 4252 |
| a | 6.244 ± 0.0002 Å |
| b | 7.4588 ± 0.0003 Å |
| c | 9.5897 ± 0.0004 Å |
| α | 104.777 ± 0.002° |
| β | 90.043 ± 0.002° |
| γ | 114.151 ± 0.002° |
| Cell volume | 391.24 ± 0.03 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0214 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.0454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179859 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55. |
7015519.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015519.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015519.cif |
| 21180 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015516, 7015517, 7015518, 7015519, 7015520 via cif-deposit CGI script. |
7015519.cif |
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