Information card for entry 1564080

Structure parameters

• Common name: bismuth(III) benzoyl-N,N-diethyltiourea
• Formula: C144 H183 Bi3 N24 O12 S12
• Calculated formula: C144 H183 Bi3 N24 O12 S12
• Title of publication: Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands
• Authors of publication: de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119871
• a: 71.6534 ± 0.0014 Å
• b: 10.6297 ± 0.0004 Å
• c: 21.2674 ± 0.0009 Å
• α: 90°
• β: 103.808 ± 0.0014°
• γ: 90°
• Cell volume: 15730.3 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No