Information card for entry 7250550

Structure parameters

• Formula: C44.5 H38.25 Co2 I4 N6 O9
• Calculated formula: C44.5 H38.25 Co2 I4 N6 O9
• 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: 22.7381 ± 0.0004 Å
• b: 22.6517 ± 0.0005 Å
• c: 19.7113 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10152.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No