Information card for entry 7717581

Structure parameters

• Formula: C9 H20 Bi N3 O7 S3
• Calculated formula: C9 H20 Bi N3 O7 S3
• Title of publication: Synthesis and structural characterization of the heavy tricysteinylpnictines, models of protein-bound As(III), Sb(III), and Bi(III).
• Authors of publication: Hollow, Sophia E.; Johnstone, Timothy C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 47
• Pages of publication: 18890 - 18901
• a: 5.107 ± 0.0001 Å
• b: 11.783 ± 0.0003 Å
• c: 28.0118 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1685.63 ± 0.07 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No