Information card for entry 7218052

Structure parameters

• Formula: C12 H11 N4 O
• Calculated formula: C12 H11 N4 O
• Title of publication: Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals
• Authors of publication: Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 9783
• a: 3.994 ± 0.0004 Å
• b: 11.1412 ± 0.0009 Å
• c: 12.8857 ± 0.0011 Å
• α: 104.875 ± 0.004°
• β: 94.557 ± 0.004°
• γ: 93.967 ± 0.004°
• Cell volume: 550.03 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No