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Information card for entry 4074989
Preview
| Coordinates | 4074989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H73 F12 Ir N2 O2 |
|---|---|
| Calculated formula | C69 H47 F12 Ir N2 O2 |
| Title of publication | Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes |
| Authors of publication | Ionkin, Alex S.; Marshall, William J.; Fish, Brian M. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 6 |
| Pages of publication | 1461 - 1471 |
| a | 11.2969 ± 0.0012 Å |
| b | 11.3209 ± 0.0011 Å |
| c | 25.322 ± 0.003 Å |
| α | 87.237 ± 0.002° |
| β | 87.976 ± 0.002° |
| γ | 80.299 ± 0.002° |
| Cell volume | 3187.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1209 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209813 (current) | 2018-08-16 | cif/4/ Updating bibliography in entries 4060960-4060969, 4074985-4074994. Marking entries 4060960-4060969 as duplicates of entries 4074985-4074994. |
4074989.cif |
| 178638 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/49. |
4074989.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 {}' |
4074989.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074989.cif |
| 48999 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074985, 4074986, 4074987, 4074988, 4074989, 4074990, 4074991, 4074992, 4074993, 4074994 via cif-deposit CGI script. |
4074989.cif |
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Users of the data should acknowledge the original authors of the
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