Information card for entry 7717579

Structure parameters

• Formula: C9 H18 As N3 O6 S3
• Calculated formula: C9 H18 As N3 O6 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: 11.9981 ± 0.0003 Å
• b: 5.10005 ± 0.00013 Å
• c: 26.8857 ± 0.0007 Å
• α: 90°
• β: 93.718 ± 0.002°
• γ: 90°
• Cell volume: 1641.7 ± 0.07 ų
• Cell temperature: 104 ± 6 K
• Ambient diffraction temperature: 104 ± 6 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No