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Information card for entry 8101683
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| Coordinates | 8101683.cif |
|---|
| Chemical name | tris(triphenylphosphine)bis(phenylselenolato)disilver(I) |
|---|---|
| Formula | C66 H55 Ag2 P3 Se2 |
| Calculated formula | C66 H55 Ag2 P3 Se2 |
| SMILES | [Ag]1([Se](c2ccccc2)[Ag]([Se]1c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of tris(triphenylphosphine)bis(μ-phenylselenolato) disilver(I), Ag~2~[P(C~6~H~5~)~3~]~3~(C~6~H~5~Se)~2~ |
| Authors of publication | R.-F. Wang; W.-G. Zhang; J. Fan; S.-L. Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 1 |
| Pages of publication | 58 - 60 |
| a | 11.0749 ± 0.0006 Å |
| b | 13.4572 ± 0.0007 Å |
| c | 20.501 ± 0.0011 Å |
| α | 80.666 ± 0.001° |
| β | 86.561 ± 0.001° |
| γ | 72.516 ± 0.001° |
| Cell volume | 2875.5 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101683.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 {}' |
8101683.cif |
| 107925 | 2014-03-23 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101683.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101683.cif |
| 12422 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101683 via cif-deposit CGI script. |
8101683.cif |
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Users of the data should acknowledge the original authors of the
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