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Information card for entry 4067723
Preview
| Coordinates | 4067723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 Br4 P2 Zn |
|---|---|
| Calculated formula | C48 H40 Br4 P2 Zn |
| SMILES | c1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.Br[Zn](Br)([Br-])[Br-].c1cccc(c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Isolation and Structures of Two New Organozinc Anions from Solutions Rich in Halide Ions |
| Authors of publication | MacIntosh, Ian S.; Sherren, Cody N.; Robertson, Katherine N.; Masuda, Jason D.; Pye, Cory C.; Clyburne, Jason A. C. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 9 |
| Pages of publication | 2063 |
| a | 11.182 ± 0.003 Å |
| b | 19.633 ± 0.006 Å |
| c | 20.531 ± 0.005 Å |
| α | 90° |
| β | 91.802 ± 0.003° |
| γ | 90° |
| Cell volume | 4505 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.2112 |
| Weighted residual factors for all reflections included in the refinement | 0.2235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.266 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77. |
4067723.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067723.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067723.cif |
| 34278 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067723, 4067724, 4067725, 4067726 via cif-deposit CGI script. |
4067723.cif |
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Users of the data should acknowledge the original authors of the
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