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Information card for entry 4334845
Preview
| Coordinates | 4334845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H41 F6 N7 O Os P2 |
|---|---|
| Calculated formula | C50 H41 F6 N7 O Os P2 |
| SMILES | [Os]123([P](C)(c4ccccc4)c4ccccc4)([P](C)(c4ccccc4)c4ccccc4)n4nc(cc4c4[n]1c(N(c1[n]2c(ccc1)c1n3nc(c1)C(F)(F)F)c1ccccc1)ccc4)C(F)(F)F.O |
| Title of publication | Emissive Osmium(II) Complexes with Tetradentate Bis(pyridylpyrazolate) Chelates |
| Authors of publication | Shih-Han Chang; Chun-Fu Chang; Jia-Ling Liao; Yun Chi; Dong-Ying Zhou; Liang-Sheng Liao; Tzung-Ying Jiang; Tsao-Pei Chou; Elise Y. Li; Gene-Hsiang Lee; Ting-Yi Kuo; Pi-Tai Chou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 5867 - 5875 |
| a | 12.5123 ± 0.0009 Å |
| b | 20.0068 ± 0.0014 Å |
| c | 17.7109 ± 0.0012 Å |
| α | 90° |
| β | 93.438 ± 0.002° |
| γ | 90° |
| Cell volume | 4425.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179451 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48. |
4334845.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 {}' |
4334845.cif |
| 100729 | 2014-02-07 | cif/ Adding structures of 4334845 via cif-deposit CGI script. |
4334845.cif |
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Users of the data should acknowledge the original authors of the
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