Information card for entry 7250002

Structure parameters

• Formula: C44 H40 B Cu F4 N4 O P2
• Calculated formula: C44 H40 B Cu F4 N4 O P2
• Title of publication: Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives
• Authors of publication: Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 2086 - 2100
• a: 11.2755 ± 0.0005 Å
• b: 12.5603 ± 0.0005 Å
• c: 14.1747 ± 0.0006 Å
• α: 88.076 ± 0.003°
• β: 75.092 ± 0.004°
• γ: 86.99 ± 0.003°
• Cell volume: 1936.81 ± 0.15 ų
• Cell temperature: 114.9 ± 0.1 K
• Ambient diffraction temperature: 114.9 ± 0.1 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: 0.0511
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No