Information card for entry 4518049

Structure parameters

• Formula: C32 H56 Cl8 N8 Pt2 S4
• Calculated formula: C32 H56 Cl8 N8 Pt2 S4
• Title of publication: ESP‒ALIE Analysis as a Theoretical Tool for Identifying the Coordination Atoms of Possible Multisite Extractants: Validation and Prediction
• Authors of publication: Wang, Qi; Wang, Ning; Liu, Wenhui; Yan, Yan; Su, Hongmei; Wang, Min; Zhang, Guanju; Yang, Yanzhao
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 38
• Pages of publication: 14353 - 14364
• a: 15.7093 ± 0.0004 Å
• b: 11.6599 ± 0.0003 Å
• c: 14.4112 ± 0.0004 Å
• α: 90°
• β: 111.737 ± 0.003°
• γ: 90°
• Cell volume: 2451.98 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No