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Information card for entry 4322112
Preview
| Coordinates | 4322112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [dicarbonyl(3[(4'-((4''-n-decyloxybenzoyl)oxy)phenoxy)carbonil]- 2,4-pentane-dionate)iridium(I)] methanol solvate |
|---|---|
| Formula | C32 H39 Ir O10 |
| Calculated formula | C33 H35 Ir O9 |
| Title of publication | Rhodium(I) and Iridium(I) Complexes Containing β-Diketonate or Pyrazole Ligands. Liquid Crystal and Nonlinear Optical Properties |
| Authors of publication | Joaquín Barberá; Anabel Elduque; Raquel Giménez; Fernando J. Lahoz; José A. López; Luis A. Oro; José Luis Serrano; Belén Villacampa; Julio Villalba |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 3085 - 3092 |
| a | 26.991 ± 0.006 Å |
| b | 4.0093 ± 0.0008 Å |
| c | 31.169 ± 0.006 Å |
| α | 90° |
| β | 104.95 ± 0.013° |
| γ | 90° |
| Cell volume | 3258.8 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1039 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179324 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/21. |
4322112.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 {}' |
4322112.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322112.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322112.cif |
| 20361 | 2011-06-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4322112 via cif-deposit CGI script. |
4322112.cif |
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Users of the data should acknowledge the original authors of the
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