Information card for entry 2311501

Structure parameters

• Chemical name: 2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate
• Formula: C24 H25.5 N6 O9.5
• Calculated formula: C24 H25.5 N6 O9.5
• Title of publication: Crystal structure of 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate.
• Authors of publication: Navasardyan, Mger A.; Bezzubov, Stanislav I.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1793 - 1796
• a: 19 ± 0.007 Å
• b: 7.382 ± 0.003 Å
• c: 20.212 ± 0.007 Å
• α: 90°
• β: 114.271 ± 0.005°
• γ: 90°
• Cell volume: 2584.3 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No