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Information card for entry 7113552
Preview
| Coordinates | 7113552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H59 Mo N3 |
|---|---|
| Calculated formula | C39 H59 Mo N3 |
| SMILES | c1(cc(cc(c1)C)C)N(C(C)(C)C)[Mo](#CCC)(N(c1cc(cc(c1)C)C)C(C)(C)C)N(c1cc(cc(c1)C)C)C(C)(C)C |
| Title of publication | A reductive recycle strategy for the facile synthesis of molybdenum(VI) alkylidyne catalysts for alkyne metathesis |
| Authors of publication | Zhang, Wei; Kraft, Stefan; Moore, Jeffrey S. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 7 |
| Pages of publication | 832 - 833 |
| a | 19.144 ± 0.01 Å |
| b | 10.513 ± 0.006 Å |
| c | 19.324 ± 0.011 Å |
| α | 90° |
| β | 104.075 ± 0.009° |
| γ | 90° |
| Cell volume | 3772 ± 4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104041 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210704 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7104041, 7113552. Marking entry 7113552 as a duplicate of entry 7104041. |
7113552.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7113552.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 {}' |
7113552.cif |
| 115125 | 2014-06-02 | cif/ Adding structures of 7113552 via cif-deposit CGI script. |
7113552.cif |
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Users of the data should acknowledge the original authors of the
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