Information card for entry 7226700

Structure parameters

• Formula: C25 H23 N4 O Si
• Calculated formula: C25 H23 N4 O Si
• Title of publication: Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.
• Authors of publication: Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 28262 - 28273
• a: 19.1687 ± 0.0002 Å
• b: 16.52 ± 0.0003 Å
• c: 17.427 ± 0.0003 Å
• α: 90°
• β: 123.08 ± 0.001°
• γ: 90°
• Cell volume: 4624.05 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No