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Information card for entry 7022841
Preview
Coordinates | 7022841.cif |
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Original paper (by DOI) | HTML |
Formula | C114 H122 K2 O6 |
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Calculated formula | C114 H122 K2 O6 |
SMILES | [K]12Oc3c(cc(cc3C[O]1Cc1cc(cc(c1[OH]2)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1.Cc1ccccc1 |
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 | 14.889 ± 0.003 Å |
b | 11.6 ± 0.002 Å |
c | 27.63 ± 0.006 Å |
α | 90° |
β | 100.77 ± 0.03° |
γ | 90° |
Cell volume | 4688 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0875 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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