Information card for entry 7245717

Structure parameters

• Formula: C48 H48 Cl Cu N6 O3 P2
• Calculated formula: C48 H48 Cl Cu N6 O3 P2
• 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: 12.8638 ± 0.0013 Å
• b: 16.3836 ± 0.0019 Å
• c: 21.892 ± 0.002 Å
• α: 90°
• β: 100.136 ± 0.004°
• γ: 90°
• Cell volume: 4541.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.0969
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No