Information card for entry 7245715

Structure parameters

• Formula: C46 H36 Cu N7 P2 S
• Calculated formula: C46 H36 Cu N7 P2 S
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)[n]1c3c4[n]2cccc4c2nccnc2c3ccc1.[S-]C#N
• 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: 9.85352 ± 0.00009 Å
• b: 12.5923 ± 0.00011 Å
• c: 18.04231 ± 0.00013 Å
• α: 92.8536 ± 0.0006°
• β: 97.8598 ± 0.0007°
• γ: 112.288 ± 0.0009°
• Cell volume: 2039.29 ± 0.03 ų
• Cell temperature: 297.3 ± 0.1 K
• Ambient diffraction temperature: 297.3 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No