Information card for entry 7061733

Structure parameters

• Formula: C30 H44 Cu F6 N4 O6
• Calculated formula: C30 H44 Cu F6 N4 O6
• Title of publication: Cyclam-based iron(iii) and copper(ii) complexes: synthesis, characterization and application as antifungal agents
• Authors of publication: Almada, Stephanie; Maia, Luísa B.; Waerenborgh, João C.; Vieira, Bruno J. C.; Mira, Nuno P.; R. Silva, Elisabete; Cerqueira, Fátima; Pinto, Eugénia; Alves, Luis G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 16764 - 16770
• a: 9.2146 ± 0.0005 Å
• b: 22.905 ± 0.002 Å
• c: 17.524 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3698.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No