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Information card for entry 4075195
Preview
| Coordinates | 4075195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Cl6 Nb2 S3 |
|---|---|
| Calculated formula | C12 H24 Cl6 Nb2 S3 |
| Title of publication | Dinuclear Niobium(III) Complexes [{NbCl2(L)}2(μ-Cl)2(μ-L)] (L = tetrahydrothiophene, dimethyl sulfide): Preparation, Molecular Structures, and the Catalytic Activity for the Regioselective Cyclotrimerization of Alkynes |
| Authors of publication | Kakeya, Masaki; Fujihara, Takashi; Kasaya, Takashi; Nagasawa, Akira |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 17 |
| Pages of publication | 4131 |
| a | 11.749 ± 0.002 Å |
| b | 20.215 ± 0.004 Å |
| c | 9.792 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2325.7 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4075195.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 {}' |
4075195.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075195.cif |
| 49112 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075195 via cif-deposit CGI script. |
4075195.cif |
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