Information card for entry 7230830

Structure parameters

• Formula: C26 H16 Cl2 Co F4 I2 N4
• Calculated formula: C26 H16 Cl2 Co F4 I2 N4
• Title of publication: Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif
• Authors of publication: Lisac, Katarina; Cinčić, Dominik
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 39
• Pages of publication: 5955
• a: 7.8226 ± 0.0006 Å
• b: 25.788 ± 0.002 Å
• c: 14.3532 ± 0.0009 Å
• α: 90°
• β: 99.146 ± 0.007°
• γ: 90°
• Cell volume: 2858.6 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• 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: 0.107
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No