Information card for entry 7231448

Structure parameters

• Formula: C16 H11 N4 O
• Calculated formula: C16 H11 N4 O
• Title of publication: Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.
• Authors of publication: Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 22902 - 22908
• a: 17.0182 ± 0.0006 Å
• b: 20.5047 ± 0.0007 Å
• c: 3.8678 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1349.68 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No