Information card for entry 7705545

Structure parameters

• Formula: C108 H102 Cl2 Cu2 N6 O11 P4
• Calculated formula: C108 H102 Cl2 Cu2 N6 O11 P4
• Title of publication: Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.
• Authors of publication: Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14941 - 14950
• a: 19.806 ± 0.003 Å
• b: 15.506 ± 0.002 Å
• c: 32.903 ± 0.004 Å
• α: 90°
• β: 103.673 ± 0.012°
• γ: 90°
• Cell volume: 9819 ± 2 ų
• Cell temperature: 108.3 ± 0.1 K
• Ambient diffraction temperature: 108.3 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2606
• Residual factor for significantly intense reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.2432
• Weighted residual factors for all reflections included in the refinement: 0.3237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No