Information card for entry 7061732

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: 11.619 ± 0.001 Å
• b: 17.461 ± 0.002 Å
• c: 8.833 ± 0.001 Å
• α: 90°
• β: 107.463 ± 0.005°
• γ: 90°
• Cell volume: 1709.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1234
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2563
• Weighted residual factors for all reflections included in the refinement: 0.2787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No