Information card for entry 7206140

Structure parameters

• Formula: C24 H22 I6 N2
• Calculated formula: C24 H22 I6 N2
• Title of publication: Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts
• Authors of publication: García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4411
• a: 13.98 ± 0.002 Å
• b: 7.108 ± 0.0009 Å
• c: 15.52 ± 0.002 Å
• α: 90°
• β: 101.51 ± 0.02°
• γ: 90°
• Cell volume: 1511.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No