Information card for entry 7062583

Structure parameters

• Formula: C28 H36 Bi2 Br6 N12 S8
• Calculated formula: C28 H36 Bi2 Br6 N12 S8
• Title of publication: Heteroleptic six-coordinate bismuth(iii) complexes with 2-acetylthiophene thiosemicarbazones: synthesis, characterization, and biological properties
• Authors of publication: Ozturk, Ibrahim I.; Turk, Kadriye; Grześkiewicz, Anita M.; Kubicki, Maciej; Banti, Christina N.; Hadjikakou, Sotiris K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 12779 - 12789
• a: 10.3573 ± 0.0007 Å
• b: 11.2631 ± 0.0008 Å
• c: 11.6777 ± 0.0008 Å
• α: 96.698 ± 0.006°
• β: 114.671 ± 0.007°
• γ: 100.972 ± 0.006°
• Cell volume: 1185.57 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 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: 0.0265
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No