Information card for entry 7132566

Structure parameters

• Formula: C57 H74.5 Br2.94 Cl1.06 Mg N5.5 O4 Zn2
• Calculated formula: C57 H74.5 Br2.9365 Cl1.0635 Mg N5.5 O4 Zn2
• 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: 13.4199 ± 0.0015 Å
• b: 20.874 ± 0.002 Å
• c: 23.345 ± 0.003 Å
• α: 96.6727 ± 0.0019°
• β: 97.517 ± 0.0019°
• γ: 107.576 ± 0.0019°
• Cell volume: 6096.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No