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Information card for entry 7032939
Preview
| Coordinates | 7032939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H62 Cl2 N Nb O3 |
|---|---|
| Calculated formula | C37 H62 Cl2 N Nb O3 |
| SMILES | [Nb]12(Cl)(Cl)(Oc3c(N2c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)[O](CC)CC.CCCCC |
| Title of publication | Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand. |
| Authors of publication | Hananouchi, Steven; Krull, Brandon T.; Ziller, Joseph W.; Furche, Filipp; Heyduk, Alan F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 48 |
| Pages of publication | 17991 - 18000 |
| a | 14.571 ± 0.001 Å |
| b | 15.9423 ± 0.0011 Å |
| c | 17.0831 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3968.3 ± 0.5 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0241 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180035 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29. |
7032939.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 {}' |
7032939.cif |
| 128370 | 2014-12-06 | cif/ Updating files of 7032938, 7032939, 7032940, 7032941 Original log message: Adding full bibliography for 7032938--7032941.cif. |
7032939.cif |
| 125979 | 2014-10-30 | cif/ Adding structures of 7032938, 7032939, 7032940, 7032941 via cif-deposit CGI script. |
7032939.cif |
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