Information card for entry 7711160

Structure parameters

• Formula: C41 H37 Cl N2 P Ru S2
• Calculated formula: C41 H37 Cl N2 P Ru S2
• 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: 13.28954 ± 0.00011 Å
• b: 8.79277 ± 0.00009 Å
• c: 30.6796 ± 0.0003 Å
• α: 90°
• β: 95.1615 ± 0.0009°
• γ: 90°
• Cell volume: 3570.43 ± 0.06 ų
• Cell temperature: 94 ± 2 K
• Ambient diffraction temperature: 94 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0857
• 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: No
• Has Fobs: No