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Information card for entry 4319793
Preview
| Coordinates | 4319793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H43 Br2 Cu N2 |
|---|---|
| Calculated formula | C28 H43 Br2 Cu N2 |
| SMILES | Br[Cu]1([n]2c(c3[n]1ccc(c3)C(CCCC)CCCC)cc(cc2)C(CCCC)CCCC)Br |
| Title of publication | Synthesis, Characterization, and Bromine Substitution by 4,4'-Di(5-nonyl)-2,2'-bipyridine in CuII(4,4'-di(5-nonyl)-2,2'-bipyridine)Br2 |
| Authors of publication | Tomislav Pintauer; Jian Qiu; Guido Kickelbick; Krzysztof Matyjaszewski |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2818 - 2824 |
| a | 12.5283 ± 0.0011 Å |
| b | 15.0256 ± 0.0014 Å |
| c | 17.79 ± 0.0016 Å |
| α | 90.35 ± 0.002° |
| β | 99.36 ± 0.002° |
| γ | 107.937 ± 0.002° |
| Cell volume | 3138.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1049 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4319793.cif |
| 179277 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/97. |
4319793.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319793.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319793.cif |
| 16594 | 2011-03-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4319793 via cif-deposit CGI script. |
4319793.cif |
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Users of the data should acknowledge the original authors of the
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