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Information card for entry 4069413
Preview
| Coordinates | 4069413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H64 N4 P2 Pd |
|---|---|
| Calculated formula | C60 H64 N4 P2 Pd |
| SMILES | c1(ccccc1)P1(c2ccccc2)=[N](c2ccc(cc2)C(C)C)[Pd]2(N1c1ccc(cc1)C(C)C)[N](=P(c1ccccc1)(c1ccccc1)N2c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)C |
| 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 | 9.3444 ± 0.0002 Å |
| b | 11.5954 ± 0.0002 Å |
| c | 12.9651 ± 0.0002 Å |
| α | 85.553 ± 0.001° |
| β | 70.253 ± 0.001° |
| γ | 79.469 ± 0.001° |
| Cell volume | 1299.72 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| 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. |
4069413.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069413.cif |
| 40287 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069413 via cif-deposit CGI script. |
4069413.cif |
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