Information card for entry 7251356

Structure parameters

• Formula: C78 H105 Bi4 I33 N12 O4
• Calculated formula: C78 H105 Bi4 I33 N12 O4
• Title of publication: New iodine-rich Group 15 iodometalates(III): self-assembly of metal halide anions and polyiodides into supramolecular architectures via I···I contacts
• Authors of publication: Shentseva, Irina; Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 16.913 ± 0.002 Å
• b: 14.4492 ± 0.0017 Å
• c: 56.667 ± 0.007 Å
• α: 90°
• β: 91.534 ± 0.004°
• γ: 90°
• Cell volume: 13843 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No