Information card for entry 7230214

Structure parameters

• Formula: C10 H8 Cl2 Cu F2 N2
• Calculated formula: C10 H8 Cl2 Cu F2 N2
• 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: 3.7208 ± 0.0001 Å
• b: 15.9058 ± 0.0005 Å
• c: 11.7364 ± 0.0005 Å
• α: 90°
• β: 94.532 ± 0.003°
• γ: 90°
• Cell volume: 692.42 ± 0.04 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.2838
• Weighted residual factors for all reflections included in the refinement: 0.3002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No