Information card for entry 7700438

Structure parameters

• Formula: C48 H41 Cl Cu P3 S
• Calculated formula: C48 H41 Cl Cu P3 S
• Title of publication: From deep blue to green emitting and ultralong fluorescent copper(i) halide complexes containing dimethylthiophene diphosphine and PPh₃ ligands.
• Authors of publication: Wei, Qiong; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Guang-Hua; Li, Fa-Bao; Alamry, Khalid A.; Zhao, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11448 - 11459
• a: 10.569 ± 0.002 Å
• b: 22.22 ± 0.004 Å
• c: 17.811 ± 0.004 Å
• α: 90°
• β: 95.19 ± 0.03°
• γ: 90°
• Cell volume: 4165.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No