Information card for entry 7208860

Structure parameters

• Formula: C12 H10 N3 O
• Calculated formula: C12 H10 N3 O
• Title of publication: Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions
• Authors of publication: Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 577
• a: 7.352 ± 0.002 Å
• b: 9.03 ± 0.003 Å
• c: 9.219 ± 0.003 Å
• α: 116.322 ± 0.004°
• β: 93.538 ± 0.004°
• γ: 108.236 ± 0.004°
• Cell volume: 506.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No