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Information card for entry 7005517
Preview
| Coordinates | 7005517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H32 P2 Pt |
|---|---|
| Calculated formula | C38 H32 P2 Pt |
| SMILES | [Pt]12([P](c3c1cc(cc3)C)(c1ccccc1)c1ccccc1)[P](c1c2cc(cc1)C)(c1ccccc1)c1ccccc1 |
| Title of publication | ortho-Metallated complexes of platinum(II) and diplatinum(I) containing the carbanions (2-diphenylphosphino)phenyl and (2-diphenylphosphino)-n-tolyl (n = 5, 6). |
| Authors of publication | Bennett, Martin A.; Bhargava, Suresh K.; Messelhäuser, Johannes; Privér, Steven H; Welling, Lee L.; Willis, Anthony C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 29 |
| Pages of publication | 3158 - 3169 |
| a | 8.9749 ± 0.0001 Å |
| b | 9.0823 ± 0.0001 Å |
| c | 21.0062 ± 0.0003 Å |
| α | 96.5555 ± 0.0008° |
| β | 96.9372 ± 0.0007° |
| γ | 109.343 ± 0.0008° |
| Cell volume | 1581.92 ± 0.03 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for all reflections | 0.0391 |
| Weighted residual factors for all reflections included in the refinement | 0.0361 |
| Goodness-of-fit parameter for all reflections | 0.962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| 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. |
7005517.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" |
7005517.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005517.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005517.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005517.cif |
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Users of the data should acknowledge the original authors of the
structural data.