Information card for entry 3000200

Structure parameters

• Formula: C28 H36 Cl4 Cu2 N16 O2
• Calculated formula: C28 H36 Cl4 Cu2 N16 O2
• Title of publication: First Example of Antiparasitic Activity Influenced by Thermochromism: Leishmanicidal Evaluation of 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine Metal Complexes.
• Authors of publication: José Manuel Méndez-Arriaga; Itziar Oyarzabal; Álvaro Martín-Montes; Judith García-Rodríguez; Miguel Quirós; Manuel Sánchez-Moreno
• Journal of publication: Medicinal chemistry (Shariqah (United Arab Emirates))
• Year of publication: 2020
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 422 - 430
• a: 9.2588 ± 0.0018 Å
• b: 9.5065 ± 0.0019 Å
• c: 12.181 ± 0.002 Å
• α: 70.416 ± 0.002°
• β: 80.694 ± 0.002°
• γ: 61.22 ± 0.002°
• Cell volume: 885.4 ± 0.3 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: 0.0286
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No