Information card for entry 7719918

Structure parameters

• Chemical name: C20H20Cl3CuP
• Formula: C20 H20 Cl3 Cu P
• Calculated formula: C20 H20 Cl3 Cu P
• Title of publication: Oxidation-induced irreversible phase transformation of ethyltriphenylphosphonium-based copper chloride single crystals for achieving second harmonic generation and magnetism
• Authors of publication: Sang, Mengjie; Liu, Yanqing; Liu, Guokui; Dang, Yangyang
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 12.4981 ± 0.0008 Å
• b: 15.9011 ± 0.0008 Å
• c: 21.2416 ± 0.0012 Å
• α: 90°
• β: 90.231 ± 0.002°
• γ: 90°
• Cell volume: 4221.4 ± 0.4 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0971
• 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