Information card for entry 7022843

Structure parameters

• Formula: C114 H120 O6 Zn2
• Calculated formula: C114 H120 O6 Zn2
• SMILES: c12c(cc(cc1C[O]1Cc3cc(cc(c3[O]3[Zn]1(O2)[O]1[Zn]23Oc3c(cc(cc3C[O]2Cc2cc(cc(c12)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(c1ccccc1)(C)C)C(C)(C)c1ccccc1.Cc1ccccc1.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: 13.0407 ± 0.0009 Å
• b: 13.5075 ± 0.0009 Å
• c: 16.6604 ± 0.0011 Å
• α: 102.995 ± 0.001°
• β: 99.035 ± 0.001°
• γ: 118.245 ± 0.001°
• Cell volume: 2397.5 ± 0.3 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: 0.0502
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No