Information card for entry 7132567

Structure parameters

• Formula: C108.92 H138.37 Br2.52 Cl0.48 Mg3 N10.46 O10 Zn3
• Calculated formula: C100.916 H126.374 Br2.516 Cl0.484 Mg3 N6.458 O10 Zn3
• Title of publication: Mixed-magnesium/zinc calix[4]arene complexes: structure, and ring opening polymerisation studies.
• Authors of publication: Banks, Henry J. S.; Frese, Josef W. A.; Elsegood, Mark R. J.; Redshaw, Carl
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 304 - 307
• a: 28.44051 ± 0.00012 Å
• b: 33.62784 ± 0.00006 Å
• c: 12.56775 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12019.7 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No