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Information card for entry 4122358
Preview
| Coordinates | 4122358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H76 Fe N2 O4 Zr |
|---|---|
| Calculated formula | C50 H76 Fe N2 O4 Zr |
| SMILES | [Zr]123([N](Cc4c(O2)c(cc(c4)C(C)(C)C)C(C)(C)C)(C)[c]24[Fe]56789%10%11([cH]2[cH]5[cH]6[cH]47)[c]2([N]1(Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)C)[cH]8[cH]9[cH]%10[cH]%112)(OC(C)(C)C)OC(C)(C)C |
| Title of publication | Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone. |
| Authors of publication | Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 32 |
| Pages of publication | 11264 - 11267 |
| a | 10.836 ± 0.007 Å |
| b | 11.793 ± 0.007 Å |
| c | 19.921 ± 0.012 Å |
| α | 76.643 ± 0.006° |
| β | 78.145 ± 0.006° |
| γ | 77.061 ± 0.006° |
| Cell volume | 2382 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1778 |
| Weighted residual factors for all reflections included in the refinement | 0.1913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179025 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/23. |
4122358.cif |
| 123044 | 2014-09-06 | cif/ Updating files of 4122357, 4122358, 4122359, 4122360 Original log message: Adding full bibliography for 4122357--4122360.cif. |
4122358.cif |
| 120952 | 2014-07-31 | cif/ Adding structures of 4122357, 4122358, 4122359, 4122360 via cif-deposit CGI script. |
4122358.cif |
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