Information card for entry 7713559

Structure parameters

• Formula: C29 H33 N5
• Calculated formula: C29 H33 N5
• Title of publication: Biomimetic catalysis of nitrite reductase enzyme using copper complexes in chemical and electrochemical reduction of nitrite
• Authors of publication: P. Ferreira, Millena; Bezerra Castro, Caio; de Araújo Neto, João Honorato; he, sheng; Gonçalves Guimarães Júnior, Walber; Esmieu, Charlene; Castellano, Eduardo; de Moura, André Farias; Truzzi, Daniela Ramos; Nascimento, Otaciro; Simonneau, Antoine; Netto, Caterina Gruenwaldt Cunha Marques
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.8878 ± 0.0007 Å
• b: 8.4324 ± 0.0007 Å
• c: 15.4023 ± 0.0012 Å
• α: 90°
• β: 98.845 ± 0.007°
• γ: 90°
• Cell volume: 1268.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No