Information card for entry 7206179

Structure parameters

• Formula: C12 H30 Br6 N2
• Calculated formula: C12 H30 Br6 N2
• Title of publication: Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts
• Authors of publication: Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4427
• a: 21.45 ± 0.004 Å
• b: 7.3232 ± 0.001 Å
• c: 7.1474 ± 0.0011 Å
• α: 90°
• β: 92.31 ± 0.02°
• γ: 90°
• Cell volume: 1121.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No