Information card for entry 7707690

Structure parameters

• Formula: C45 H36 Cl Cu N6 O4 P2
• Calculated formula: C45 H36 Cl Cu N6 O4 P2
• SMILES: [Cu]12([P](CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c3c4[n]2cccc4c2nccnc2c3ccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: A new application of terahertz time-domain absorption spectra in luminescent complexes: characterization of the C-Hπ weak interactions in Cu(I) complexes.
• Authors of publication: Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Wang, Guo; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Feng, Yue-Bing; Jin, Qiong-Hua; Yang, Yu-Ping; Yang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10214 - 10224
• a: 8.73042 ± 0.00009 Å
• b: 12.10099 ± 0.00011 Å
• c: 20.22005 ± 0.00013 Å
• α: 93.6136 ± 0.0006°
• β: 95.554 ± 0.0007°
• γ: 106.36 ± 0.0008°
• Cell volume: 2030.93 ± 0.03 ų
• Cell temperature: 98 ± 0.1 K
• Ambient diffraction temperature: 98 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No