Information card for entry 7705547

Structure parameters

• Formula: C83.5 H71 Cl5 Cu2 N10 O8 P4
• Calculated formula: C82 H68 Cl2 Cu2 N10 O8 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: 13.2249 ± 0.0004 Å
• b: 14.9229 ± 0.0004 Å
• c: 21.776 ± 0.0006 Å
• α: 72.522 ± 0.002°
• β: 74.29 ± 0.002°
• γ: 80.072 ± 0.002°
• Cell volume: 3926.6 ± 0.2 ų
• Cell temperature: 108.3 ± 0.1 K
• Ambient diffraction temperature: 108.3 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0468
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No