Information card for entry 7248700

Structure parameters

• Formula: C54 H54 Bi2 Br8.49 Cl3.51 N6
• Calculated formula: C54 H54 Bi2 Br8.489 Cl3.511 N6
• 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 A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 3490 - 3500
• a: 12.79 ± 0.003 Å
• b: 14.769 ± 0.004 Å
• c: 19.156 ± 0.005 Å
• α: 67.593 ± 0.005°
• β: 73.276 ± 0.005°
• γ: 80.529 ± 0.007°
• Cell volume: 3197.6 ± 1.4 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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: 0.0721
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No