Information card for entry 7700437

Structure parameters

• Formula: C51 H47 Br Cl6 Cu P3 S
• Calculated formula: C51 H47 Br Cl6 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: 13.507 ± 0.003 Å
• b: 13.606 ± 0.003 Å
• c: 14.263 ± 0.003 Å
• α: 85.71 ± 0.03°
• β: 82.74 ± 0.03°
• γ: 89.27 ± 0.03°
• Cell volume: 2592.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No