Information card for entry 7224675

Structure parameters

• Formula: C6 H12 Bi Br N2 S4
• Calculated formula: C6 H12 Bi Br N2 S4
• Title of publication: Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells
• Authors of publication: Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 35
• Pages of publication: 29026
• a: 10.2109 ± 0.0005 Å
• b: 16.3665 ± 0.0007 Å
• c: 8.2545 ± 0.0004 Å
• α: 90°
• β: 101.026 ± 0.004°
• γ: 90°
• Cell volume: 1354 ± 0.11 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No