Information card for entry 7062581

Structure parameters

• Formula: C21 H27 Bi Cl3 N9 S6
• Calculated formula: C21 H27 Bi Cl3 N9 S6
• SMILES: [Bi](Cl)(Cl)(Cl)([S]=C(N)N/N=C(\C)c1sccc1)([S]=C(N/N=C(C)/c1sccc1)N)[S]=C(N)N/N=C(\C)c1sccc1
• 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: 7.8136 ± 0.0003 Å
• b: 12.756 ± 0.0007 Å
• c: 17.6388 ± 0.0011 Å
• α: 70.31 ± 0.005°
• β: 84.83 ± 0.004°
• γ: 88.196 ± 0.004°
• Cell volume: 1648.53 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.022
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No