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Information card for entry 1518901
Preview
| Coordinates | 1518901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H79 O4 P3 Zn2 |
|---|---|
| Calculated formula | C76 H79 O4 P3 Zn2 |
| SMILES | c12cc(cc(c1O[Zn]1([O]3c4c(cc(cc4C(C)(C)C)C)[P](c4ccccc4)(c4ccccc4)[Zn]43(Oc3c(cc(cc3C(C)(C)C)C)[P]4(c3ccccc3)c3ccccc3)[O]1Cc1ccccc1)[P]2(c1ccccc1)c1ccccc1)C(C)(C)C)C |
| Title of publication | P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate. |
| Authors of publication | Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 27 |
| Pages of publication | 12376 - 12387 |
| a | 13.6142 ± 0.0006 Å |
| b | 19.6861 ± 0.0008 Å |
| c | 27.5279 ± 0.0009 Å |
| α | 90° |
| β | 116.169 ± 0.002° |
| γ | 90° |
| Cell volume | 6621.5 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0872 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518901.cif |
| 143661 | 2015-07-11 | cif/ Updating files of 1518901, 1518902, 1518903, 1518904 Original log message: Adding full bibliography for 1518901--1518904.cif. |
1518901.cif |
| 134407 | 2015-03-26 | cif/ Adding structures of 1518901, 1518902, 1518903, 1518904 via cif-deposit CGI script. |
1518901.cif |
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