Information card for entry 7032810

Structure parameters

• Formula: C52 H72 O4 Zn2
• Calculated formula: C52 H72 O4 Zn2
• 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: 12.4407 ± 0.0009 Å
• b: 13.4833 ± 0.0009 Å
• c: 24.1096 ± 0.0017 Å
• α: 90.508 ± 0.005°
• β: 100.609 ± 0.006°
• γ: 113.943 ± 0.007°
• Cell volume: 3617.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1096
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No