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Information card for entry 4064834
Preview
| Coordinates | 4064834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H30 Cl8 O P2 Pd |
|---|---|
| Calculated formula | C41 H30 Cl8 O P2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[P](C(=C=C2c3c(c4ccccc24)cccc3)P(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion |
| Authors of publication | Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 14 |
| Pages of publication | 3804 |
| a | 9.4807 ± 0.0003 Å |
| b | 14.3847 ± 0.0004 Å |
| c | 30.6171 ± 0.0009 Å |
| α | 90° |
| β | 97.547 ± 0.003° |
| γ | 90° |
| Cell volume | 4139.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178542 (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 4/06/48. |
4064834.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064834.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064834.cif |
| 33060 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064827, 4064828, 4064829, 4064830, 4064831, 4064832, 4064833, 4064834 via cif-deposit CGI script. |
4064834.cif |
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