Information card for entry 7248701

Structure parameters

• Formula: C120 H136 Bi4 I24 N16 O4
• Calculated formula: C120 H136 Bi4 I24 N16 O4
• Title of publication: Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides
• Authors of publication: Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 22.399 ± 0.002 Å
• b: 21.812 ± 0.002 Å
• c: 32.531 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15894 ± 3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No