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Information card for entry 4512492
Preview
| Coordinates | 4512492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 Cl2 O Pd S2 |
|---|---|
| Calculated formula | C6 H12 Cl2 O Pd S2 |
| Title of publication | Epitaxial Retrieval of a Disappearing Polymorph. |
| Authors of publication | Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. |
| Journal of publication | Crystal growth & design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 115 - 123 |
| a | 8.4502 ± 0.0004 Å |
| b | 12.1807 ± 0.0005 Å |
| c | 10.3745 ± 0.0004 Å |
| α | 90° |
| β | 105.125 ± 0.004° |
| γ | 90° |
| Cell volume | 1030.85 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179671 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/24. |
4512492.cif |
| 130461 | 2015-02-04 | cif/ Updating files of 4512492, 4512493, 4512494, 4512495, 4512496, 4512497 Original log message: Adding full bibliography for 4512492--4512497.cif. |
4512492.cif |
| 128893 | 2014-12-21 | cif/ Adding structures of 4512492, 4512493, 4512494, 4512495, 4512496, 4512497 via cif-deposit CGI script. |
4512492.cif |
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Users of the data should acknowledge the original authors of the
structural data.