Information card for entry 7135735

Structure parameters

• Formula: C110 H110 Br8 Co4 N11 O4
• Calculated formula: C110 H110 Br8 Co4 N11 O4
• 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: 10.7727 ± 0.0003 Å
• b: 12.2755 ± 0.0004 Å
• c: 21.8766 ± 0.0005 Å
• α: 84.154 ± 0.002°
• β: 88.514 ± 0.002°
• γ: 65.975 ± 0.003°
• Cell volume: 2628.22 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No