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Information card for entry 4311157
Preview
| Coordinates | 4311157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H42 Cl2 N4 P2 Pd |
|---|---|
| Calculated formula | C33 H42 Cl2 N4 P2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[P](c2ccccc2[N]1(C)C)(c1ccccc1N(C)C)CP(c1ccccc1N(C)C)c1ccccc1N(C)C |
| Title of publication | Metal-Metal Bonded Homo- and Heterobimetallic Compounds of Pt(I) and Pd(I) Supported by a Bridging-N,P:N',P'Moiety of a Potentially Hexadentate Ligand |
| Authors of publication | Nathan D. Jones; S. Jo Ling Foo; Brian O. Patrick; Brian R. James |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4056 - 4063 |
| a | 11.6675 ± 0.0004 Å |
| b | 19.8387 ± 0.0006 Å |
| c | 14.9924 ± 0.0007 Å |
| α | 90° |
| β | 99.291 ± 0.003° |
| γ | 90° |
| Cell volume | 3424.7 ± 0.2 Å3 |
| Cell temperature | 173.2 K |
| Ambient diffraction temperature | 173.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for all reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections | 0.861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4311157.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" |
4311157.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311157.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311157.cif |
| 2649 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311157 via cif-deposit CGI script. |
4311157.cif |
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