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Information card for entry 4064009
Preview
| Coordinates | 4064009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H48 Cl N2 O P Pd Pt |
|---|---|
| Calculated formula | C42 H48 Cl N2 O P Pd Pt |
| SMILES | [Pd]12(C(=C(C)c3ccccc3[C@@H](C)[N]2(C)C)[P@@]2([Pt]3(c4c(c5c(cc4)cccc5)[C@@H](C)[N]3(C)C)[O]=C([C@H]12)C)c1ccccc1)Cl.c1ccccc1 |
| Title of publication | Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle |
| Authors of publication | Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1530 |
| a | 9.4113 ± 0.0003 Å |
| b | 19.085 ± 0.0006 Å |
| c | 11.0368 ± 0.0003 Å |
| α | 90° |
| β | 105.781 ± 0.001° |
| γ | 90° |
| Cell volume | 1907.65 ± 0.1 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178502 (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 4/06/40. |
4064009.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064009.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064009.cif |
| 32751 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064005, 4064006, 4064007, 4064008, 4064009, 4064010 via cif-deposit CGI script. |
4064009.cif |
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