Information card for entry 4130594

Structure parameters

• Common name: [QT][GaBr4]
• Formula: C6 Br4 Cl2 Ga N2 S4
• Calculated formula: C6 Br4 Cl2 Ga N2 S4
• Title of publication: Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure.
• Authors of publication: Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 34
• Pages of publication: 10738 - 10741
• a: 13.6489 ± 0.0004 Å
• b: 13.6489 ± 0.0004 Å
• c: 7.9023 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1274.91 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No