Information card for entry 7232906

Structure parameters

• Formula: C56 H42 Cu F3 N4 O5 P2 S
• Calculated formula: C56 H42 Cu F3 N4 O5 P2 S
• Title of publication: New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes
• Authors of publication: Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 4275
• a: 10.8914 ± 0.0004 Å
• b: 12.2427 ± 0.0003 Å
• c: 19.074 ± 0.0007 Å
• α: 94.343 ± 0.002°
• β: 92.474 ± 0.003°
• γ: 106.148 ± 0.003°
• Cell volume: 2430.49 ± 0.15 ų
• Cell temperature: 102.3 K
• Ambient diffraction temperature: 102.3 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No