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Information card for entry 7012403
Preview
| Coordinates | 7012403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (2,6-Trip2C6H3CS2)2TiCl2(py)2a2py |
|---|---|
| Formula | C83 H113 Cl2 N O S4 Ti |
| Calculated formula | C79 H89 Cl2 N S4 Ti |
| Title of publication | Lithium, titanium and vanadium dithiocarboxylatesElectronic supplementary information (ESI) available: additional crystallographic details. See http://www.rsc.org/suppdata/dt/b2/b210691d/ |
| Authors of publication | Ives, Christina; Fillis, Elaine L.; Hagadorn, John R. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 527 |
| a | 12.7871 ± 0.0007 Å |
| b | 16.9214 ± 0.0009 Å |
| c | 20.3901 ± 0.0011 Å |
| α | 80.002 ± 0.001° |
| β | 78.03 ± 0.001° |
| γ | 68.35 ± 0.001° |
| Cell volume | 3988.6 ± 0.4 Å3 |
| Cell temperature | 135 ± 2 K |
| Ambient diffraction temperature | 135 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1628 |
| Weighted residual factors for all reflections included in the refinement | 0.1722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012403.cif |
| 179828 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/24. |
7012403.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012403.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012403.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012403.cif |
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Users of the data should acknowledge the original authors of the
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