Information card for entry 7251355

Structure parameters

• Formula: C78 H105 I33 N12 O4 Sb4
• Calculated formula: C78 H105 I33 N12 O4 Sb4
• 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: 16.9204 ± 0.0003 Å
• b: 14.3689 ± 0.0003 Å
• c: 29.1546 ± 0.0007 Å
• α: 90°
• β: 105.236 ± 0.001°
• γ: 90°
• Cell volume: 6839.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No