Information card for entry 7105420

Structure parameters

• Formula: C12 H30 I4 N2
• Calculated formula: C12 H30 I4 N2
• SMILES: C(C[N+](C)(C)C)CCCC[N+](C)(C)C.[I-].II.[I-]
• Title of publication: Dimensional encapsulation of I(-)...I(2)...I(-) in an organic salt crystal matrix.
• Authors of publication: Abate, Antonio; Brischetto, Manuel; Cavallo, Gabriella; Lahtinen, Manu; Metrangolo, Pierangelo; Pilati, Tullio; Radice, Stefano; Resnati, Giuseppe; Rissanen, Kari; Terraneo, Giancarlo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2724 - 2726
• a: 25.963 ± 0.005 Å
• b: 7.5588 ± 0.0016 Å
• c: 5.826 ± 0.0012 Å
• α: 90°
• β: 100.17 ± 0.02°
• γ: 90°
• Cell volume: 1125.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No