Information card for entry 7218349

Structure parameters

• Formula: C18 H36 I6 N4
• Calculated formula: C18 H36 I6 N4
• Title of publication: N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide
• Authors of publication: Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1736
• a: 23.6028 ± 0.0006 Å
• b: 25.1893 ± 0.0008 Å
• c: 7.6207 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4530.8 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No