Information card for entry 7248699

Structure parameters

• Formula: C30 H34 Bi I6 N4 O
• Calculated formula: C30 H34 Bi I6 N4 O
• 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: 11.0547 ± 0.0005 Å
• b: 13.7612 ± 0.0006 Å
• c: 13.8907 ± 0.0006 Å
• α: 74.65 ± 0.001°
• β: 87.794 ± 0.001°
• γ: 72.935 ± 0.001°
• Cell volume: 1946.28 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No