Information card for entry 7224672

Structure parameters

• Formula: C5 H10 Bi Br2 N S2
• Calculated formula: C5 H10 Bi Br2 N S2
• 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: 10.0768 ± 0.0006 Å
• b: 14.766 ± 0.0009 Å
• c: 7.846 ± 0.0005 Å
• α: 90°
• β: 91.716 ± 0.005°
• γ: 90°
• Cell volume: 1166.91 ± 0.12 ų
• Cell temperature: 100.3 ± 0.1 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: 0.0581
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No