Information card for entry 7233730

Structure parameters

• Formula: C11 H7 Br4 N2 O2
• Calculated formula: C11 H7 Br4 N2 O2
• Title of publication: Influence of organic cations on stacking of semiquinone radical anions
• Authors of publication: Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 18.5984 ± 0.0005 Å
• b: 18.6075 ± 0.0005 Å
• c: 3.9545 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.53 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No