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Information card for entry 4064833
Preview
| Coordinates | 4064833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C42 H26 Cl O P |
|---|---|
| Calculated formula | C42 H26 Cl O P |
| SMILES | C1(=C(P(=O)(c2ccccc2)c2ccccc2)C2(c3ccccc3c3ccccc23)C1=C=C1c2ccccc2c2ccccc12)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 | 9.8854 ± 0.0004 Å |
| b | 12.6342 ± 0.0007 Å |
| c | 13.3036 ± 0.0006 Å |
| α | 84.502 ± 0.004° |
| β | 78.088 ± 0.004° |
| γ | 69.495 ± 0.005° |
| Cell volume | 1522.25 ± 0.14 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4064833.cif |
| 178542 | 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. |
4064833.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064833.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064833.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. |
4064833.cif |
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Users of the data should acknowledge the original authors of the
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