Information card for entry 7244262

Structure parameters

• Formula: C43 H36 Cl Cu N4 O4.01 P2
• Calculated formula: C43 H36 Cl Cu N4 O4 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: 11.74 ± 0.0011 Å
• b: 12.5965 ± 0.0013 Å
• c: 13.7194 ± 0.0014 Å
• α: 88.186 ± 0.002°
• β: 73.757 ± 0.001°
• γ: 87.479 ± 0.002°
• Cell volume: 1945.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.087
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No