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Information card for entry 7012222
Preview
| Coordinates | 7012222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris(5,5'-di(methyl-N-valine)-2,2'-bipyridyl)cobalt(III)dichloride heptaperchlorate dodecahydrate diethanol |
|---|---|
| Formula | C70 H132 Cl9 Co N12 O54 |
| Calculated formula | C70 H96 Cl9 Co N12 O54 |
| Title of publication | Iron and cobalt complexes of 5,5'-di(methylene-N-aminoacidyl)-2,2'-bipyridyl ligands: ligand design for diastereoselectivity and anion bindingElectronic supplementary information (ESI) available: 1H NMR spectrum of [Co(1)3]3+ as a function of pH; 2D NOESY 1H NMR spectrum of [Co(1)3Cl2]+; 2D ROESY 1H NMR spectrum of [Co(1)3]3+. See http://www.rsc.org/suppdata/dt/b2/b208934c/ |
| Authors of publication | Telfer, Shane G.; Bernardinelli, Gérald; Williams, Alan F. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 3 |
| Pages of publication | 435 |
| a | 14.4363 ± 0.0009 Å |
| b | 20.2358 ± 0.0008 Å |
| c | 20.0112 ± 0.0014 Å |
| α | 90° |
| β | 110.184 ± 0.008° |
| γ | 90° |
| Cell volume | 5486.9 ± 0.6 Å3 |
| Cell temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.39 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7012222.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 {}' |
7012222.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012222.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012222.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012222.cif |
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