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Information card for entry 2232234
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| Coordinates | 2232234.cif |
|---|---|
| Structure factors | 2232234.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-2-(pyridin-2-yl)ethanolato]bis[bromidocopper(II)] |
|---|---|
| Formula | C14 H16 Br2 Cu2 N2 O2 |
| Calculated formula | C14 H16 Br2 Cu2 N2 O2 |
| SMILES | Br[Cu]12[n]3ccccc3CC[O]1[Cu]1([n]3ccccc3CC[O]21)Br |
| Title of publication | Bis[μ-2-(pyridin-2-yl)ethanolato]bis[bromidocopper(II)] |
| Authors of publication | Shaikh, M. Mobin; Mathur, Saloni; Uddin, Md. Jamal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1612 |
| a | 4.2066 ± 0.0002 Å |
| b | 8.4338 ± 0.0003 Å |
| c | 11.5113 ± 0.0006 Å |
| α | 91.122 ± 0.004° |
| β | 90.195 ± 0.003° |
| γ | 97.033 ± 0.001° |
| Cell volume | 405.24 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/22. |
2232234.cif 2232234.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232234.cif 2232234.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232234.cif 2232234.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232234.cif 2232234.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232234.cif 2232234.hkl |
| 30883 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232234 via cif-deposit CGI script. |
2232234.cif |
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Users of the data should acknowledge the original authors of the
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