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Information card for entry 1515010
Preview
| Coordinates | 1515010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H124 Cl21 Co4 K N8 O4 |
|---|---|
| Calculated formula | C76 H124 Cl21 Co4 K N8 O4 |
| SMILES | [Co]12345[O]6[Co]789([Cl]1)[Cl]1[Co]%10%11%12%13[O]%14[Co]%15%16%17([Cl]%11)[Cl][K]1([Cl]2)([O]37c1c2C[NH]4CC(C[NH]5Cc3c6c(C[NH]9CC(C[NH]8Cc1cc(c2)C(C)(C)C)(C)C)cc(c3)C(C)(C)C)(C)C)[O]%13%15c1c2C[NH]%16CC(C[NH]%17Cc3c%14c(C[NH]%10CC(C[NH]%12Cc1cc(c2)C(C)(C)C)(C)C)cc(c3)C(C)(C)C)(C)C.ClCCl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? |
| Authors of publication | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1245 |
| a | 11.78965 ± 0.00015 Å |
| b | 31.1301 ± 0.0004 Å |
| c | 27.4398 ± 0.0003 Å |
| α | 90° |
| β | 96.1289 ± 0.0013° |
| γ | 90° |
| Cell volume | 10013.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1075 |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for significantly intense reflections | 0.1979 |
| Weighted residual factors for all reflections included in the refinement | 0.2113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1515010.cif |
| 110839 | 2014-04-20 | cif/ Adding structures of 1515007, 1515008, 1515009, 1515010, 1515011, 1515012, 1515013, 1515014, 1515015 via cif-deposit CGI script. |
1515010.cif |
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Users of the data should acknowledge the original authors of the
structural data.