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Information card for entry 4064014
Preview
| Coordinates | 4064014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H49 Cl2 N2 O3.5 P Pd2 |
|---|---|
| Calculated formula | C36 H49 Cl2 N2 O3.5 P Pd2 |
| SMILES | [Pd]12([Cl][Pd]3(C(=C(C)c4c([C@@H](C)[N]3(C)C)cccc4)[P@]1(C#CC)c1ccccc1)Cl)c1c(c3c(cc1)cccc3)[C@@H](C)[N]2(C)C.O.O.O.O |
| 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 | 23.9174 ± 0.0017 Å |
| b | 14.883 ± 0.0011 Å |
| c | 11.7442 ± 0.0009 Å |
| α | 90° |
| β | 116.069 ± 0.004° |
| γ | 90° |
| Cell volume | 3755.2 ± 0.5 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1377 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 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. |
4064014.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064014.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064014.cif |
| 32752 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064011, 4064012, 4064013, 4064014, 4064015, 4064016, 4064017 via cif-deposit CGI script. |
4064014.cif |
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