Information card for entry 7206180

Structure parameters

• Formula: C12 H30 Cl2 I4 N2
• Calculated formula: C12 H32 Cl2.0086 I4.0086 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: 22.361 ± 0.003 Å
• b: 7.5412 ± 0.0012 Å
• c: 7.1251 ± 0.001 Å
• α: 90°
• β: 91.388 ± 0.012°
• γ: 90°
• Cell volume: 1201.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No