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Information card for entry 7005701
Preview
| Coordinates | 7005701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H30 Cl6 N2 P2 Pd |
|---|---|
| Calculated formula | C37 H30 Cl6.02 N2 P2 Pd |
| Title of publication | Methoxycarbonylation of olefins catalyzed by palladium complexes bearing P,N-donor ligands. |
| Authors of publication | Aguirre, Pedro A.; Lagos, Carolina A.; Moya, Sergio A.; Zúñiga, César; Vera-Oyarce, Cristian; Sola, Eduardo; Peris, Gabriel; Bayón, J Carles |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 46 |
| Pages of publication | 5419 - 5426 |
| a | 9.6006 ± 0.0007 Å |
| b | 13.8728 ± 0.001 Å |
| c | 15.8526 ± 0.0011 Å |
| α | 94.061 ± 0.002° |
| β | 95.855 ± 0.002° |
| γ | 99.201 ± 0.002° |
| Cell volume | 2065.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1774 |
| Residual factor for significantly intense reflections | 0.0858 |
| Weighted residual factors for significantly intense reflections | 0.2292 |
| Weighted residual factors for all reflections included in the refinement | 0.2871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179761 (current) | 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 7/00/57. |
7005701.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" |
7005701.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005701.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005701.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005701.cif |
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