Information card for entry 7245711

Structure parameters

• Formula: C43 H36 Cl Cu N4 P2
• Calculated formula: C43 H36 Cl Cu N4 P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)CN(C[P]1(c1ccccc1)c1ccccc1)c1ncccc1)[n]1c3c(ccc1)ccc1c3[n]2ccc1.[Cl-]
• Title of publication: Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions
• Authors of publication: Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.1563 ± 0.0006 Å
• b: 12.5587 ± 0.0005 Å
• c: 13.446 ± 0.0008 Å
• α: 88.946 ± 0.004°
• β: 75.334 ± 0.005°
• γ: 87.123 ± 0.004°
• Cell volume: 1820.19 ± 0.17 ų
• Cell temperature: 114.95 ± 0.1 K
• Ambient diffraction temperature: 114.95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No