Information card for entry 7245712

Structure parameters

• Formula: C43 H36 Cu I N4 P2
• Calculated formula: C43 H36 Cu I N4 P2
• SMILES: [I-].[Cu]12([P](CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)(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: 11.4117 ± 0.0002 Å
• b: 12.5516 ± 0.0002 Å
• c: 13.6513 ± 0.0002 Å
• α: 90.828 ± 0.001°
• β: 105.286 ± 0.001°
• γ: 90.71 ± 0.001°
• Cell volume: 1885.71 ± 0.05 ų
• Cell temperature: 106 ± 9 K
• Ambient diffraction temperature: 106 ± 9 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: 0.0423
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No