Information card for entry 7243754

Structure parameters

• Formula: C55.27 H45.07 B Cu F4 N4 O0.27 P2
• Calculated formula: C55.268 H45.072 B Cu F4 N4 O0.268 P2
• Title of publication: A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties
• Authors of publication: Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 47
• Pages of publication: 8323 - 8333
• a: 14.5279 ± 0.0003 Å
• b: 19.7802 ± 0.0004 Å
• c: 16.4881 ± 0.0003 Å
• α: 90°
• β: 93.0114 ± 0.0016°
• γ: 90°
• Cell volume: 4731.56 ± 0.16 ų
• Cell temperature: 105.2 K
• Ambient diffraction temperature: 105.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No