Information card for entry 7244261

Structure parameters

• Formula: C43 H36 B Cu F4 N4 P2
• Calculated formula: C43 H36 B Cu F4 N4 P2
• Title of publication: Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra
• Authors of publication: Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.5699 ± 0.0005 Å
• b: 12.5429 ± 0.0003 Å
• c: 13.6715 ± 0.0004 Å
• α: 88.298 ± 0.002°
• β: 73.809 ± 0.003°
• γ: 87.479 ± 0.003°
• Cell volume: 1903.16 ± 0.11 ų
• Cell temperature: 106.7 K
• Ambient diffraction temperature: 106.7 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: 0.0339
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No