Information card for entry 7245710

Structure parameters

• Formula: C43 H36 Br Cu N4 P2
• Calculated formula: C43 H36 Br Cu N4 P2
• SMILES: [Br-].[Cu]12([P](c3ccccc3)(c3ccccc3)CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)[n]1c3c4[n]2cccc4ccc3ccc1
• 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: 11.2631 ± 0.0002 Å
• b: 12.6103 ± 0.0003 Å
• c: 13.5574 ± 0.0003 Å
• α: 89.5485 ± 0.0016°
• β: 75.1425 ± 0.0017°
• γ: 88.066 ± 0.0016°
• Cell volume: 1860.13 ± 0.07 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No