Information card for entry 7132569

Structure parameters

• Formula: C112.37 H147.56 Br3.42 Cl0.58 Mg2 N9.19 O10 Zn4
• Calculated formula: C112.372 H147.558 Br3.418 Cl0.582 Mg2 N9.186 O10 Zn4
• 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: 19.81378 ± 0.00008 Å
• b: 25.56149 ± 0.00011 Å
• c: 24.42596 ± 0.0001 Å
• α: 90°
• β: 108.387 ± 0.0004°
• γ: 90°
• Cell volume: 11739.5 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No