Information card for entry 7135734

Structure parameters

• Formula: C242 H251 Br8 Co4 N33 O8 Zn4
• Calculated formula: C242 H251 Br8 Co4 N33 O8 Zn4
• Title of publication: Copper and manganese diazacalix[4]arene complexes: structural and cytotoxicity studies and use in ring opening polymerization of ε-caprolactone and δ-valerolactone
• Authors of publication: Razieh, Azaria C.; Redshaw, Carl; Sample, Harry C.; Hobson, Emily B.; Prior, Timothy J.; Mueller, Anja
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 22.6868 ± 0.0002 Å
• b: 12.6267 ± 0.0001 Å
• c: 20.6141 ± 0.0002 Å
• α: 90°
• β: 103.526 ± 0.001°
• γ: 90°
• Cell volume: 5741.32 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No