Information card for entry 7062584

Structure parameters

• Formula: C48.5 H68 Bi2 Cl6 N18 O0.5 S12
• Calculated formula: C48.5 H68 Bi2 Cl6 N18 O0.5 S12
• 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: 14.0476 ± 0.0004 Å
• b: 14.9502 ± 0.0004 Å
• c: 18.4873 ± 0.0006 Å
• α: 96.771 ± 0.002°
• β: 96.425 ± 0.002°
• γ: 95.962 ± 0.002°
• Cell volume: 3804.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No