Information card for entry 7230834

Structure parameters

• Formula: C30 H16 Cl2 Co F4 I2 N4
• Calculated formula: C30 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: 8.1204 ± 0.0007 Å
• b: 13.9649 ± 0.0008 Å
• c: 14.147 ± 0.0007 Å
• α: 99.902 ± 0.004°
• β: 100.089 ± 0.005°
• γ: 105.734 ± 0.006°
• Cell volume: 1478.96 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No