Information card for entry 7218053

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: 3.9458 ± 0.0002 Å
• b: 11.1337 ± 0.0004 Å
• c: 12.8406 ± 0.0005 Å
• α: 105.091 ± 0.002°
• β: 95.1 ± 0.002°
• γ: 93.601 ± 0.002°
• Cell volume: 540.32 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No