Information card for entry 7103024

Structure parameters

• Formula: C45 H74 Cl2 F6 I8 N2
• Calculated formula: C45 H74 Cl2 F6 I8 N2
• Title of publication: Mutual induced coordination in halogen-bonded anionic assemblies with (6,3) cation-templated topologies.
• Authors of publication: Metrangolo, Pierangelo; Meyer, Frank; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1635 - 1637
• a: 11.983 ± 0.003 Å
• b: 16.974 ± 0.004 Å
• c: 16.379 ± 0.004 Å
• α: 90°
• β: 109.03 ± 0.03°
• γ: 90°
• Cell volume: 3149.4 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No