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Information card for entry 4317574
Preview
| Coordinates | 4317574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H28 Hg O2 P2 |
|---|---|
| Calculated formula | C36 H28 Hg O2 P2 |
| SMILES | c1(ccccc1)P(=O)(c1ccccc1)c1c([Hg]c2ccccc2P(=O)(c2ccccc2)c2ccccc2)cccc1 |
| Title of publication | Bis{(2-diphenylphosphino)phenyl}mercury: A P-Donor Ligand and Precursor to Mixed Metal-Mercury (d8-d10) Cyclometalated Complexes Containing 2-C6H4PPh2 |
| Authors of publication | Martin A. Bennett; Maria Contel; David C. R. Hockless; Lee L. Welling; Anthony C. Willis |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 844 - 855 |
| a | 11.331 ± 0.003 Å |
| b | 9.381 ± 0.002 Å |
| c | 14.516 ± 0.004 Å |
| α | 90° |
| β | 98.3 ± 0.02° |
| γ | 90° |
| Cell volume | 1526.8 ± 0.7 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 5 |
| 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.0395 |
| Weighted residual factors for all reflections included in the refinement | 0.0369 |
| Goodness-of-fit parameter for all reflections | 1.903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.198 |
| Diffraction radiation wavelength | 0.7107 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. |
4317574.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 {}' |
4317574.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317574.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317574.cif |
| 13849 | 2011-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4317574 via cif-deposit CGI script. |
4317574.cif |
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Users of the data should acknowledge the original authors of the
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