Information card for entry 7058664

Structure parameters

• Formula: C61.5 H55 Cl3 Cu2 I2 P4 S2
• Calculated formula: C61.5 H55 Cl3 Cu2 I2 P4 S2
• Title of publication: Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands
• Authors of publication: Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13408
• a: 14.4159 ± 0.0003 Å
• b: 14.4159 ± 0.0003 Å
• c: 26.7513 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4814.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No