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Information card for entry 4069412
Preview
| Coordinates | 4069412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H47 Cl N2 P2 Pd |
|---|---|
| Calculated formula | C48 H47 Cl N2 P2 Pd |
| SMILES | [Pd]1(Cl)([N](c2ccc(cc2)C(C)C)=P(N1c1ccc(cc1)C(C)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Aminoiminophosphoranate Complexes of Palladium and Platinum and X-ray Diffractional Investigation of the Weak C−H···Pd Interactions Affecting the Geometry of the PdNPN Metallacycles |
| Authors of publication | Peganova, Tat’yana A.; Valyaeva, Anna V.; Kalsin, Alexander M.; Petrovskii, Pavel V.; Borissova, Alexandra O.; Lyssenko, Konstantin A.; Ustynyuk, Nikolai A. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 10 |
| Pages of publication | 3021 |
| a | 10.314 ± 0.004 Å |
| b | 12.219 ± 0.004 Å |
| c | 18.221 ± 0.007 Å |
| α | 94.734 ± 0.006° |
| β | 94.295 ± 0.007° |
| γ | 114.159 ± 0.006° |
| Cell volume | 2073.1 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178583 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/94. |
4069412.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069412.cif |
| 40286 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069412 via cif-deposit CGI script. |
4069412.cif |
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Users of the data should acknowledge the original authors of the
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