Information card for entry 7250004

Structure parameters

• Formula: C88 H72 Cu2 F6 N8 O6 P4 S2
• Calculated formula: C88 H72 Cu2 F6 N8 O6 P4 S2
• 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: 20.228 ± 0.002 Å
• b: 21.227 ± 0.002 Å
• c: 19.952 ± 0.002 Å
• α: 90°
• β: 99.407 ± 0.003°
• γ: 90°
• Cell volume: 8451.8 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2659
• Residual factor for significantly intense reflections: 0.1874
• Weighted residual factors for significantly intense reflections: 0.3599
• Weighted residual factors for all reflections included in the refinement: 0.3849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No