Information card for entry 7228343

Structure parameters

• Formula: C19 H17 Br2 N4 O Si
• Calculated formula: C19 H17 Br2 N4 O Si
• SMILES: Brc1cc(N2N=C([N]N(C2=O)c2cc(Br)ccc2)C#C[Si](C)(C)C)ccc1
• Title of publication: Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State
• Authors of publication: Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 7.1372 ± 0.0001 Å
• b: 10.9703 ± 0.0003 Å
• c: 13.9865 ± 0.0004 Å
• α: 72.911 ± 0.001°
• β: 86.154 ± 0.001°
• γ: 86.504 ± 0.002°
• Cell volume: 1043.42 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No