Information card for entry 7230222

Structure parameters

• Formula: C20 H12 Cl8 Cu2 I4 N4
• Calculated formula: C20 H12 Cl8 Cu2 I4 N4
• Title of publication: Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes
• Authors of publication: Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 14
• Pages of publication: 1954
• a: 8.0829 ± 0.0016 Å
• b: 14.605 ± 0.003 Å
• c: 13.664 ± 0.003 Å
• α: 90°
• β: 91.89 ± 0.03°
• γ: 90°
• Cell volume: 1612.2 ± 0.6 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0215
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No