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Information card for entry 4067724
Preview
| Coordinates | 4067724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 Cl4 P2 Zn |
|---|---|
| Calculated formula | C48 H40 Cl4 P2 Zn |
| SMILES | c1cccc(c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Zn](Cl)([Cl-])[Cl-].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 | 10.9888 ± 0.0011 Å |
| b | 19.491 ± 0.003 Å |
| c | 20.269 ± 0.002 Å |
| α | 90° |
| β | 91.622 ± 0.001° |
| γ | 90° |
| Cell volume | 4339.5 ± 0.9 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201370 (current) | 2017-09-27 | cif/ Removing the _symmetry_INT_tables_number data item with malformed values in entries 1518641, 4025490, 4067724, 4074205, 4074207, 4074208, 4104897, 4104898, 4104899, 4316344, 4316345, 4316346, 4317005, 4502875, 4502876, 4502877, 4502878, 4502879, 4502880, 4502881, 4502882, 4502883, 7014502, 7014503, 7014504, 7014505, 7014506, 7021473, 7021474, 7023369, 7023370, 7023371, 7023372, 7023373, 7023374, 7027947, 7030233, 7030234, 7030235, 7030236, 7030237, 7030238, 7105782, 7106232, 7106233, 7106234, 7106235, 7112984, 7201013, 7204257, 7204606, 7205024, 7205025, 7205026, 7205027, 7205028, 7205029, 7205030, 7207975, 7207976, 7207977, 7207978, 7218857, 7219704. The correct value for this data item is retained in the _space_group_IT_number data item. |
4067724.cif |
| 178568 | 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. |
4067724.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067724.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067724.cif |
| 34278 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067723, 4067724, 4067725, 4067726 via cif-deposit CGI script. |
4067724.cif |
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