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Information card for entry 4064936
Preview
| Coordinates | 4064936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H60 N7 O2 Ta |
|---|---|
| Calculated formula | C44 H60 N7 O2 Ta |
| SMILES | c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[Ta]134(N2c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O4)([N](=NN1C)c1ccc(cc1)C)N(/N=N/3C)c1ccc(cc1)C |
| Title of publication | Reactivity of Organometallic Tantalum Complexes Containing a Bis(phenoxy)amide (ONO)3‒Ligand with Aryl Azides and 1,2-Diphenylhydrazine |
| Authors of publication | Zarkesh, Ryan A.; Heyduk, Alan F. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 18 |
| Pages of publication | 4890 |
| a | 19.966 ± 0.0015 Å |
| b | 17.1104 ± 0.0013 Å |
| c | 12.9621 ± 0.001 Å |
| α | 90° |
| β | 101.503 ± 0.001° |
| γ | 90° |
| Cell volume | 4339.3 ± 0.6 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.025 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0572 |
| 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 |
|---|---|---|---|
| 178543 (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 4/06/49. |
4064936.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 {}' |
4064936.cif |
| 114157 | 2014-05-22 | cif/ Updating files of 4064935, 4064936 Original log message: Adding full bibliography for 4064935--4064936.cif. |
4064936.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064936.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064936.cif |
| 33102 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064935, 4064936 via cif-deposit CGI script. |
4064936.cif |
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