Information card for entry 7710702

Structure parameters

• Formula: C108 H140 N6 O12 Zn3
• Calculated formula: C108 H140 N6 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: 22.336 ± 0.002 Å
• b: 19.6856 ± 0.0018 Å
• c: 23.872 ± 0.004 Å
• α: 90°
• β: 90.432 ± 0.0012°
• γ: 90°
• Cell volume: 10496 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No