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Information card for entry 4331552
Preview
| Coordinates | 4331552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 F5 O Tl |
|---|---|
| Calculated formula | C6 F5 O Tl |
| Title of publication | Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds |
| Authors of publication | Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 10 |
| Pages of publication | 3864 - 3877 |
| a | 4.1823 ± 0.0007 Å |
| b | 9.2088 ± 0.0015 Å |
| c | 9.7104 ± 0.0016 Å |
| α | 107.052 ± 0.003° |
| β | 101.884 ± 0.003° |
| γ | 90.844 ± 0.003° |
| Cell volume | 348.75 ± 0.1 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4331552.cif |
| 179418 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15. |
4331552.cif |
| 97700 | 2014-01-29 | cif/ Adding structures of 4331550, 4331551, 4331552, 4331553, 4331554, 4331555, 4331556 via cif-deposit CGI script. |
4331552.cif |
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Users of the data should acknowledge the original authors of the
structural data.