Information card for entry 7244259

Structure parameters

• Formula: C64 H62 Cu2 N8 O3 P2
• Calculated formula: C64 H62 Cu2 N8 O3 P2
• SMILES: [Cu]1([P](c2ccccc2)(CN(c2ncccc2)C[P]([Cu]2([n]3c4c5[n]2c(ccc5ccc4ccc3C)C)C#N)(c2ccccc2)c2ccccc2)c2ccccc2)([n]2c3c4[n]1c(ccc4ccc3ccc2C)C)C#N.OC.OC.OC
• 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: 11.7324 ± 0.0002 Å
• b: 20.7132 ± 0.0003 Å
• c: 23.3587 ± 0.0004 Å
• α: 90°
• β: 95.466 ± 0.002°
• γ: 90°
• Cell volume: 5650.72 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No