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Information card for entry 4113080
Preview
| Coordinates | 4113080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31.5 H43 Mo O3 P |
|---|---|
| Calculated formula | C31.5 H39 Mo O3 P |
| Title of publication | Chemistry of the Phosphinidene Oxide Ligand |
| Authors of publication | María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 13610 - 13611 |
| a | 9.2708 ± 0.0003 Å |
| b | 12.0224 ± 0.0004 Å |
| c | 14.3208 ± 0.0005 Å |
| α | 84.894 ± 0.001° |
| β | 77.062 ± 0.001° |
| γ | 75.535 ± 0.001° |
| Cell volume | 1505.4 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4113080.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 {}' |
4113080.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113080.cif |
| 65500 | 2012-09-05 | cif/ Adding structures of 4113080 via cif-deposit CGI script. |
4113080.cif |
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Users of the data should acknowledge the original authors of the
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