Information card for entry 3000255

Structure parameters

• Formula: C63 H90 La2 N42 O27
• Calculated formula: C63 H90 La2 N42 O27
• Title of publication: Lanthanide(III) Based Complexes Containing 5,7-Dimethyl-1,2,4-triazolo[1,5-a ]pyrimidine as Long-Lived Photoluminescent Antiparasitic Agents
• Authors of publication: Esteban-Parra, Ginés M.; Moscoso, Inmaculada; Cepeda, Javier; García, Jose A.; Sánchez-Moreno, Manuel; Rodríguez-Diéguez, Antonio; Quirós, Miguel
• Journal of publication: European Journal of Inorganic Chemistry
• Year of publication: 2020
• Journal volume: 2020
• Journal issue: 3
• Pages of publication: 308
• a: 16.4089 ± 0.0012 Å
• b: 16.4089 ± 0.0012 Å
• c: 19.4155 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4527.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.076
• 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: Yes