Information card for entry 7719383

Structure parameters

• Formula: C13 H10 N4 O
• Calculated formula: C13 H10 N4 O
• Title of publication: Dual excitation-wavelength-dependent luminescence and proton transfer in ESIPT-active zinc(II) complexes with 2-(1<i>H</i>-pyrazol-1-yl)-4-(2-hydroxyphenyl)pyrimidine.
• Authors of publication: Shekhovtsov, Nikita A.; Vorobyeva, Sofia N.; Ryadun, Alexey A.; Nikolaenkova, Elena B.; Tikhonov, Alexey Y.; Bushuev, Mark B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 40
• Pages of publication: 15157 - 15168
• a: 3.8091 ± 0.0005 Å
• b: 6.3074 ± 0.0007 Å
• c: 22.583 ± 0.003 Å
• α: 90°
• β: 94.602 ± 0.004°
• γ: 90°
• Cell volume: 540.82 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No