Information card for entry 7022842

Structure parameters

• 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 ų
• 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