Information card for entry 7237084

Structure parameters

• Formula: C26 H44 Cl N3 Se2
• Calculated formula: C26 H44 Cl N3 Se2
• Title of publication: Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity
• Authors of publication: Kumar, Vijith; Leroy, César; Bryce, David L.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 41
• Pages of publication: 6406
• a: 12.513 ± 0.0013 Å
• b: 14.1548 ± 0.0018 Å
• c: 17.6517 ± 0.0018 Å
• α: 90°
• β: 101.041 ± 0.007°
• γ: 90°
• Cell volume: 3068.6 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1513
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No