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Information card for entry 1561028
Preview
| Coordinates | 1561028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H48 Li4 N4 O8 |
|---|---|
| Calculated formula | C42 H48 Li4 N4 O8 |
| SMILES | c12c3cccc1C=[N]1CC(C[N]4=Cc5cccc6c5[O]57[Li]814[O]12[Li]5([O]3C)([O]6C)[O]23c4c5C=[N]6CC(C[N]9=Cc%10c%11c(ccc%10)[O](C)[Li]73([O]8%11[Li]1269)[O](c4ccc5)C)(C)C)(C)C |
| Title of publication | Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation |
| Authors of publication | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 3109 - 3118 |
| a | 11.2287 ± 0.0004 Å |
| b | 11.2287 ± 0.0004 Å |
| c | 32.691 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4121.8 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265832 (current) | 2021-06-05 | cif/ Updating files of 1561024, 1561025, 1561026, 1561027, 1561028, 1561029, 1561030, 1561031, 1561032, 1561033, 1561034, 1561035 Original log message: Adding full bibliography for 1561024--1561035.cif. |
1561028.cif |
| 263048 | 2021-03-16 | cif/ Adding structures of 1561024, 1561025, 1561026, 1561027, 1561028, 1561029, 1561030, 1561031, 1561032, 1561033, 1561034, 1561035 via cif-deposit CGI script. |
1561028.cif |
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Users of the data should acknowledge the original authors of the
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