Information card for entry 7711158

Structure parameters

• Formula: C16 H19 Cl N2 O Ru S3
• Calculated formula: C16 H19 Cl N2 O Ru S3
• Title of publication: Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation
• Authors of publication: Huang, Yi; Huang, Junben; Zhang, Yong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.5064 ± 0.0003 Å
• b: 14.308 ± 0.0003 Å
• c: 9.18732 ± 0.00016 Å
• α: 90°
• β: 91.3511 ± 0.0018°
• γ: 90°
• Cell volume: 1774.95 ± 0.06 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 7
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No