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Information card for entry 4069646
Preview
| Coordinates | 4069646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C99 H102 Al O3 P3 |
|---|---|
| Calculated formula | C99 H102 Al O3 P3 |
| SMILES | [P]1([Al]23([P](c4c(O2)c(cc(c4)C)C(C)(C)C)(c2ccccc2)c2ccccc2)([P](c2c(O3)c(cc(c2)C)C(C)(C)C)(c2ccccc2)c2ccccc2)Oc2c1cc(C)cc2C(C)(C)C)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
| 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 | 13.263 ± 0.001 Å |
| b | 14.094 ± 0.002 Å |
| c | 23.695 ± 0.004 Å |
| α | 103.31 ± 0.05° |
| β | 90.52 ± 0.05° |
| γ | 103.92 ± 0.05° |
| Cell volume | 4174 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.2558 |
| Residual factor for significantly intense reflections | 0.1495 |
| Weighted residual factors for significantly intense reflections | 0.2698 |
| Weighted residual factors for all reflections included in the refinement | 0.3213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| 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. |
4069646.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069646.cif |
| 40376 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069644, 4069645, 4069646, 4069647, 4069648 via cif-deposit CGI script. |
4069646.cif |
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