Information card for entry 7032811

Structure parameters

• 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 ų
• 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