Information card for entry 7231450

Structure parameters

• Formula: C21 H19 N4 O Si
• Calculated formula: C21 H19 N4 O Si
• 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: 5.9346 ± 0.0002 Å
• b: 16.9487 ± 0.0006 Å
• c: 10.0933 ± 0.0004 Å
• α: 90°
• β: 99.999 ± 0.002°
• γ: 90°
• Cell volume: 999.8 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No