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Information card for entry 7028095
Preview
| Coordinates | 7028095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H26 W |
|---|---|
| Calculated formula | C18 H26 W |
| SMILES | [W]123456789([c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C([c]15[cH]6[cH]7[cH]8[cH]91)(C)C)(C)C)(C)C |
| Title of publication | Studies of ansa-bis(cyclopentadienyl)tungsten derivatives |
| Authors of publication | Conway, Stephen L. J.; Dijkstra, Tessa; Doerrer, Linda H.; Green, Jennifer C.; Green, Malcolm L. H.; Stephens, Adam H. H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 16 |
| Pages of publication | 2689 |
| a | 9.35 ± 0.003 Å |
| b | 13.145 ± 0.003 Å |
| c | 12.739 ± 0.004 Å |
| α | 90° |
| β | 105.04 ± 0.02° |
| γ | 90° |
| Cell volume | 1512.1 ± 0.8 Å3 |
| Cell temperature | 0 K |
| Ambient diffraction temperature | 125 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0263 |
| Goodness-of-fit parameter for significantly intense reflections | 0.8041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288252 (current) | 2023-12-12 | cif/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9842. This change affected only the misspelt variants of the '_diffrn_measurement_device_type' data name. |
7028095.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7028095.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7028095.cif |
| 97586 | 2014-01-29 | cif/ Adding structures of 7028094, 7028095 via cif-deposit CGI script. |
7028095.cif |
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Users of the data should acknowledge the original authors of the
structural data.