Information card for entry 7242645

Structure parameters

• Formula: C64 H78.15 Cu2 N8 O19.07
• Calculated formula: C64 H78.148 Cu2 N8 O19.074
• Title of publication: Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes
• Authors of publication: Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 13475 - 13485
• a: 9.7157 ± 0.0003 Å
• b: 21.115 ± 0.0006 Å
• c: 17.2695 ± 0.0005 Å
• α: 90°
• β: 101.485 ± 0.002°
• γ: 90°
• Cell volume: 3471.85 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No