Information card for entry 7233726

Structure parameters

• Formula: C12 H9 Cl4 N2 O2
• Calculated formula: C12 H9 Cl4 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: 7.1294 ± 0.0004 Å
• b: 9.5042 ± 0.0008 Å
• c: 11.0035 ± 0.0009 Å
• α: 106.258 ± 0.007°
• β: 91.624 ± 0.006°
• γ: 106.085 ± 0.006°
• Cell volume: 683.2 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No