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Information card for entry 7032811
Preview
| Coordinates | 7032811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H84 N Na O4 Si2 Zn |
|---|---|
| Calculated formula | C56 H84 N Na O4 Si2 Zn |
| SMILES | c12Cc3c(OCCC)c(Cc4cc(C(C)(C)C)cc5c4[O]4[Na][O]6[Zn]4(N([Si](C)(C)C)[Si](C)(C)C)[O](CCC)c4c(Cc(c16)cc(C(C)(C)C)c2)cc(C(C)(C)C)cc4C5)cc(c3)C(C)(C)C |
| Title of publication | Zinc calixarene complexes for the ring opening polymerization of cyclic esters. |
| Authors of publication | Walton, Mark J.; Lancaster, Simon J.; Wright, Joseph A.; Elsegood, Mark R. J.; Redshaw, Carl |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 48 |
| Pages of publication | 18001 - 18009 |
| a | 10.0724 ± 0.0007 Å |
| b | 12.3152 ± 0.0009 Å |
| c | 22.8866 ± 0.0016 Å |
| α | 81.897 ± 0.003° |
| β | 88.44 ± 0.003° |
| γ | 89.093 ± 0.003° |
| Cell volume | 2809.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032811.cif |
| 180034 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032811.cif |
| 128380 | 2014-12-06 | cif/ Updating files of 7032809, 7032810, 7032811, 7032812 Original log message: Adding full bibliography for 7032809--7032812.cif. |
7032811.cif |
| 125446 | 2014-10-16 | cif/ Adding structures of 7032809, 7032810, 7032811, 7032812 via cif-deposit CGI script. |
7032811.cif |
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