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Information card for entry 4070543
Preview
| Coordinates | 4070543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 In2 N10 |
|---|---|
| Calculated formula | C16 H20 In2 N10 |
| SMILES | C[In]12(C)[n]3ccccc3c3nn[n](n13)[In]1(C)(C)[n]3ccccc3c3nn[n]2n13 |
| Title of publication | Synthesis, Characterization, and Photophysical Properties of Luminescent Gallium and Indium Complexes Constructed using Tridentate 6-Azolyl-2,2′-bipyridine Chelates |
| Authors of publication | Song, Yi-Hwa; Chiu, Yuan-Chieh; Chi, Yun; Chou, Pi-Tai; Cheng, Yi-Ming; Lin, Chun-Wei; Lee, Gene-Hsiang; Carty, Arthur J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 1 |
| Pages of publication | 80 |
| a | 6.8471 ± 0.0006 Å |
| b | 8.6997 ± 0.0007 Å |
| c | 9.0856 ± 0.0007 Å |
| α | 88.128 ± 0.002° |
| β | 82.9 ± 0.002° |
| γ | 70.894 ± 0.002° |
| Cell volume | 507.46 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0184 |
| Residual factor for significantly intense reflections | 0.0171 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.0435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (current) | 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 4/07/05. |
4070543.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 {}' |
4070543.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070543.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070543.cif |
| 42551 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070543 via cif-deposit CGI script. |
4070543.cif |
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Users of the data should acknowledge the original authors of the
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