Information card for entry 4316925

Structure parameters

• Formula: C38 H32 As Bi Cl6 S6
• Calculated formula: C38 H30 As Bi Cl5.99 S6
• Title of publication: Self-Assembled E2L3 Cryptands (E = P, As, Sb, Bi): Transmetalation, Homo- and Heterometallic Assemblies, and Conformational Isomerism
• Authors of publication: Virginia M. Cangelosi; Timothy G. Carter; Justin L. Crossland; Lev N. Zakharov; Darren W. Johnson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9985 - 9992
• a: 16.4744 ± 0.0008 Å
• b: 16.4744 ± 0.0008 Å
• c: 16.4744 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4471.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.104
• 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: No
• Has Fobs: No