Information card for entry 7206137

Structure parameters

• Formula: C24 H20 I8 N2
• Calculated formula: C24 H20 I8 N2
• SMILES: c1c(I)ccc(C[n+]2ccc(c3cc[n+](cc3)Cc3ccc(I)cc3)cc2)c1.I[I-]I.I[I-]I
• 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: 7.0768 ± 0.0006 Å
• b: 8.1099 ± 0.0006 Å
• c: 15.1128 ± 0.0012 Å
• α: 76.138 ± 0.011°
• β: 82.477 ± 0.01°
• γ: 70.923 ± 0.01°
• Cell volume: 794.54 ± 0.12 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No