Information card for entry 7248696

Structure parameters

• Formula: C11 H15 Bi Br4 N O S
• Calculated formula: C11 H15 Bi Br4 N O S
• 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: 11.442 ± 0.003 Å
• b: 13.461 ± 0.003 Å
• c: 12.46 ± 0.003 Å
• α: 90°
• β: 107.555 ± 0.007°
• γ: 90°
• Cell volume: 1829.7 ± 0.8 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No