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Information card for entry 7104001
Preview
| Coordinates | 7104001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 Cl3 Cr N2 O3 Pd |
|---|---|
| Calculated formula | C20 H13 Cl3 Cr N2 O3 Pd |
| Title of publication | Novel heteroleptic cis-(C-N)2Pd(II) chelates for the preparation of enantiopure planar chiral cyclopalladated 2-[tricarbonyl(eta6-phenyl)chromium]pyridine |
| Authors of publication | Djukic, Jean-Pierre; Alexsandro, Berger; Andre de, Cian; Nathalie, Kyritsakas-Gruber; Jerome, Lacour; Michel, Pfeffer; Laurent, Vial |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 6.4747 ± 0.0002 Å |
| b | 12.4324 ± 0.0003 Å |
| c | 14.0935 ± 0.0005 Å |
| α | 90° |
| β | 96.103 ± 0.005° |
| γ | 90° |
| Cell volume | 1128.04 ± 0.06 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections | 0.663 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections | 13.275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7104001.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7104001.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7104001.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7104001.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7104001.cif |
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