Information card for entry 7710707

Structure parameters

• Formula: C114 H153 N5 O12 Zn3
• Calculated formula: C114 H153 N5 O12 Zn3
• Title of publication: Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.
• Authors of publication: Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 18.5416 ± 0.0002 Å
• b: 23.5115 ± 0.0003 Å
• c: 25.1 ± 0.0003 Å
• α: 91.732 ± 0.0011°
• β: 90.6899 ± 0.001°
• γ: 93.3356 ± 0.001°
• Cell volume: 10917.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1998
• Residual factor for significantly intense reflections: 0.1717
• Weighted residual factors for significantly intense reflections: 0.4623
• Weighted residual factors for all reflections included in the refinement: 0.492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No