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Information card for entry 7010249
Preview
| Coordinates | 7010249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H40 Au Cl2 F6 P5 |
|---|---|
| Calculated formula | C45 H39.676 Au Cl2 F6 P5 |
| Title of publication | Mononuclear gold(I) complex of a chiral tetra(tertiary phosphine). Crystal and molecular structure of [T-4-(RP*,RP*)]-(±)-1,2-bis[(2-diphenylphosphinophenyl)methylphosphino]benzene-P,P',P″,P‴gold(I) hexafluorophosphate |
| Authors of publication | Chatterjee, Swarup; Moore, Felicity K. E.; Salem, Geoffrey; Waring, Paul; Willis, Anthony C. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 24 |
| Pages of publication | 4487 |
| a | 9.7019 ± 0.0003 Å |
| b | 14.5445 ± 0.0004 Å |
| c | 16.3041 ± 0.0004 Å |
| α | 86.957 ± 0.002° |
| β | 76.013 ± 0.002° |
| γ | 87.492 ± 0.002° |
| Cell volume | 2228.16 ± 0.11 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for all reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0392 |
| Goodness-of-fit parameter for all reflections | 0.818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7010249.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7010249.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010249.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010249.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010249.cif |
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Users of the data should acknowledge the original authors of the
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