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Information card for entry 7006011
Preview
| Coordinates | 7006011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Silver-bis(4-((diphenylphosphanyl)-methyl)-benzene-1,2-diol)- triflate |
|---|---|
| Chemical name | Silver-bis{4-[(diphenylphosphanyl)-methyl]-benzene-1,2-diol}-triflate |
| Formula | C47 H50 Ag F3 O9 P2 S |
| Calculated formula | C47 H50 Ag F3 O9 P2 S |
| SMILES | [Ag]([P](Cc1cc(O)c(O)cc1)(c1ccccc1)c1ccccc1)([P](Cc1cc(O)c(O)cc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F.O1CCCC1.O1CCCC1 |
| Title of publication | Boron templated catechol phosphines as bidentate ligands in silver complexes. |
| Authors of publication | Chikkali, Samir H.; Gudat, Dietrich; Lissner, Falk; Nieger, Martin; Schleid, Thomas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 35 |
| Pages of publication | 3906 - 3913 |
| a | 14.3659 ± 0.0003 Å |
| b | 16.1257 ± 0.0004 Å |
| c | 19.8458 ± 0.0006 Å |
| α | 90° |
| β | 92.338 ± 0.001° |
| γ | 90° |
| Cell volume | 4593.7 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0705 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.0612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006011.cif |
| 179764 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/60. |
7006011.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 {}' |
7006011.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006011.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006011.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006011.cif |
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Users of the data should acknowledge the original authors of the
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