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Information card for entry 7110627
Preview
| Coordinates | 7110627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H97 B Cl4 Co N4 O7 |
|---|---|
| Calculated formula | C75 H97 B Cl4 Co N4 O7 |
| Title of publication | Structures of [Co(II)(L)(NO3)(HOCH3)n]BPh4 (n = 4, 5) complexes (L = cis,cis-1,3,5-triaminocyclohexane-based ligand): structural ‘snapshots’ of anion binding to a metal centre |
| Authors of publication | Boxwell, Clive J.; Walton, Paul H. |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 17 |
| Pages of publication | 1647 |
| a | 10.393 ± 0.004 Å |
| b | 16.811 ± 0.005 Å |
| c | 21.737 ± 0.005 Å |
| α | 90° |
| β | 97.21 ± 0.02° |
| γ | 90° |
| Cell volume | 3768 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1932 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1598 |
| Weighted residual factors for all reflections included in the refinement | 0.2319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180220 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06. |
7110627.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 {}' |
7110627.cif |
| 95534 | 2014-01-28 | cif/ Adding structures of 7110626, 7110627 via cif-deposit CGI script. |
7110627.cif |
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Users of the data should acknowledge the original authors of the
structural data.