Information card for entry 7127401

Structure parameters

• Formula: C6 H16 Bi Cl5 N2 S2
• Calculated formula: C6 H16 Bi Cl5 N2 S2
• Title of publication: A one-dimensional switchable dielectric material with Pd uptake function: [(CH₂)₃NH₂S]₂BiCl₅.
• Authors of publication: Liu, Yu-Ting; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 89
• Pages of publication: 13764 - 13767
• a: 12.1998 ± 0.0005 Å
• b: 7.4008 ± 0.0003 Å
• c: 21.8754 ± 0.001 Å
• α: 90°
• β: 123.518 ± 0.003°
• γ: 90°
• Cell volume: 1646.66 ± 0.13 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No