Information card for entry 3000023

Structure parameters

• Formula: C28 H44 Cl2 N16 O14 Zn
• Calculated formula: C28 H44 Cl2 N16 O14 Zn
• Title of publication: Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis
• Authors of publication: Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno
• Journal of publication: European Journal of Medicinal Chemistry
• Year of publication: 2014
• Journal volume: 85
• Pages of publication: 526 - 534
• a: 14.83 ± 0.002 Å
• b: 8.5741 ± 0.0012 Å
• c: 17.618 ± 0.002 Å
• α: 90°
• β: 111.98 ± 0.002°
• γ: 90°
• Cell volume: 2077.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes