Information card for entry 7243757

Structure parameters

• Formula: C56 H48 Cu I N4 O P2
• Calculated formula: C56 H48 Cu I N4 O P2
• SMILES: [I-].[Cu]12([P](CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c3c4[n]2ccc(c4ccc3c(cc1)c1ccccc1)c1ccccc1.OC
• Title of publication: A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties
• Authors of publication: Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 47
• Pages of publication: 8323 - 8333
• a: 14.3536 ± 0.0001 Å
• b: 20.0276 ± 0.0002 Å
• c: 16.8454 ± 0.0002 Å
• α: 90°
• β: 94.109 ± 0.001°
• γ: 90°
• Cell volume: 4830.07 ± 0.08 ų
• Cell temperature: 132.99 ± 0.1 K
• Ambient diffraction temperature: 132.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0921
• 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