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Information card for entry 4324865
Preview
| Coordinates | 4324865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H56 Cl8 N2 O2 P4 Pd |
|---|---|
| Calculated formula | C60 H56 Cl8 N2 O2 P4 Pd |
| SMILES | C(Cl)Cl.C(Cl)Cl.[Pd]12(P(=C(C3=NCCO3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)P(=C(C1=NCCO1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline |
| Authors of publication | Shuanming Zhang; Roberto Pattacini; Pierre Braunstein |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 3511 - 3522 |
| a | 9.8705 ± 0.0005 Å |
| b | 12.5788 ± 0.0005 Å |
| c | 13.3436 ± 0.0006 Å |
| α | 75.682 ± 0.002° |
| β | 73.222 ± 0.002° |
| γ | 74.038 ± 0.002° |
| Cell volume | 1499.46 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179351 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/48. |
4324865.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324865.cif |
| 43316 | 2012-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4324865 via cif-deposit CGI script. |
4324865.cif |
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