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Information card for entry 4069647
Preview
| Coordinates | 4069647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H51 Al B F15 O2 P2 |
|---|---|
| Calculated formula | C65 H51 Al B F15 O2 P2 |
| SMILES | [P]1([Al]2([P](c3c(O2)c(cc(c3)C)C(C)(C)C)(c2ccccc2)c2ccccc2)Oc2c1cc(cc2C(C)(C)C)C)(c1ccccc1)c1ccccc1.Fc1c(c(F)c(F)c(F)c1F)[B-](C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Synthesis and Structure of Neutral and Cationic Aluminum Complexes Supported by BidentateO,P-Phosphinophenolate Ligands and Their Reactivity with Propylene Oxide and ε-Caprolactone |
| Authors of publication | Haddad, Mansour; Laghzaoui, Mohamed; Welter, Richard; Dagorne, Samuel |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 15 |
| Pages of publication | 4584 |
| a | 12.811 ± 0.002 Å |
| b | 15.182 ± 0.002 Å |
| c | 15.739 ± 0.003 Å |
| α | 85.33 ± 0.006° |
| β | 78.03 ± 0.007° |
| γ | 83.36 ± 0.005° |
| Cell volume | 2969.3 ± 0.8 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 | 0.1036 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178585 (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 4/06/96. |
4069647.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069647.cif |
| 40376 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069644, 4069645, 4069646, 4069647, 4069648 via cif-deposit CGI script. |
4069647.cif |
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Users of the data should acknowledge the original authors of the
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