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Information card for entry 4067365
Preview
| Coordinates | 4067365.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 Fe4 O12 S5 |
|---|---|
| Calculated formula | C19 H12 Fe4 O12 S5 |
| SMILES | [Fe]12([Fe]3([S]1CC(C[S]23)(C)C[S]1[Fe]2([Fe]1([S]=C2SC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Two Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Formed from Trithiol MeC(CH2SH)3, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles to Produce the Corresponding Neutral Triple- and Double-Butterfly Cluster Complexes |
| Authors of publication | Song, Li-Cheng; Cheng, Jia; Yan, Jing; Liu, Chun-Rong; Hu, Qing-Mei |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 205 |
| a | 24.812 ± 0.01 Å |
| b | 9.725 ± 0.004 Å |
| c | 26.843 ± 0.011 Å |
| α | 90° |
| β | 114.184 ± 0.007° |
| γ | 90° |
| Cell volume | 5909 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1356 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.2128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178564 (current) | 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 4/06/73. |
4067365.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 {}' |
4067365.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067365.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067365.cif |
| 34177 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067363, 4067364, 4067365, 4067366, 4067367 via cif-deposit CGI script. |
4067365.cif |
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