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Information card for entry 4072130
Preview
| Coordinates | 4072130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H48 Cl4 N4 O3 Sn2 W |
|---|---|
| Calculated formula | C32 H48 Cl4 N4 O3 Sn2 W |
| SMILES | [W]12([Sn]([Cl]1)(Cl)(Cl)Cl)([n]1n(c(cc1C)C)C([Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1)n1[n]2c(cc1C)C)(C#[O])(C#[O])C#[O] |
| Title of publication | Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives |
| Authors of publication | Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5684 |
| a | 10.6878 ± 0.0016 Å |
| b | 12.4245 ± 0.0018 Å |
| c | 17.41 ± 0.003 Å |
| α | 74.486 ± 0.003° |
| β | 75.947 ± 0.003° |
| γ | 65.769 ± 0.002° |
| Cell volume | 2008 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21. |
4072130.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 {}' |
4072130.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072130.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072130.cif |
| 44253 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072128, 4072129, 4072130, 4072131 via cif-deposit CGI script. |
4072130.cif |
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Users of the data should acknowledge the original authors of the
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