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Information card for entry 7028157
Preview
| Coordinates | 7028157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) tetrafluoroborate toluene solvate (1:1) # IUPAC name, in full |
|---|---|
| Formula | C17.5 H16 B0.5 Cu0.5 F2 N2 |
| Calculated formula | C35 H31 B Cu F4 N4 |
| Title of publication | Copper(I) chelated by 2,9-dimethyl-1,10-phenanthroline and bridged by 4,4′-bipyridine or trans-1,2-bis(pyridin-4-yl)ethene to give discrete dinuclear and polymeric cations |
| Authors of publication | Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter; Li, Wan-Sheung |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 6 |
| Pages of publication | 909 |
| a | 15.875 ± 0.004 Å |
| b | 15.493 ± 0.004 Å |
| c | 13.296 ± 0.003 Å |
| α | 90° |
| β | 106.71 ± 0.02° |
| γ | 90° |
| Cell volume | 3132.1 ± 1.4 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0669 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.0556 |
| Goodness-of-fit parameter for all reflections | 1.2502 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7028157.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7028157.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 {}' |
7028157.cif |
| 97621 | 2014-01-29 | cif/ Adding structures of 7028156, 7028157, 7028158, 7028159, 7028160 via cif-deposit CGI script. |
7028157.cif |
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