Information card for entry 7250551

Structure parameters

• Formula: C22.5 H20.13 Co I2 N2.87 O4.87
• Calculated formula: C22.5 H20.1333 Co I2 N2.86667 O4.86667
• Title of publication: Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework
• Authors of publication: Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 28
• Pages of publication: 4863 - 4867
• a: 15.5617 ± 0.0005 Å
• b: 34.0855 ± 0.0011 Å
• c: 14.1496 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7505.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No