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Information card for entry 7022842
Preview
| Coordinates | 7022842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H69 K O5 |
|---|---|
| Calculated formula | C58 H69 K O5 |
| SMILES | c1(c(cc(cc1C[O]1Cc2cc(cc(c2[OH]2)C(C)(C)c3ccccc3)C(C)(C)c3ccccc3)C(C)(C)c3ccccc3)C(C)(c3ccccc3)C)O[K]12[O]1CCCC1.O1CCCC1 |
| Title of publication | Potassium, zinc, and magnesium complexes of a bulky OOO-tridentate bis(phenolate) ligand: synthesis, structures, and studies of cyclic ester polymerisation. |
| Authors of publication | Huang, Yong; Wang, Wei; Lin, Chu-Chieh; Blake, Matthew P.; Clark, Lawrence; Schwarz, Andrew D.; Mountford, Philip |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 25 |
| Pages of publication | 9313 - 9324 |
| a | 13.543 ± 0.003 Å |
| b | 13.946 ± 0.003 Å |
| c | 15.444 ± 0.003 Å |
| α | 104.72 ± 0.03° |
| β | 108.69 ± 0.03° |
| γ | 105.77 ± 0.03° |
| Cell volume | 2465.8 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7022842.cif |
| 179933 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28. |
7022842.cif |
| 90359 | 2013-11-17 | cif/ Adding structures of 7022841, 7022842, 7022843, 7022844 via cif-deposit CGI script. |
7022842.cif |
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Users of the data should acknowledge the original authors of the
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