Information card for entry 7245714

Structure parameters

• Formula: C44 H36 Cu N5 P2 S
• Calculated formula: C44 H36 Cu N5 P2 S
• 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: 11.25791 ± 0.00012 Å
• b: 12.89731 ± 0.00014 Å
• c: 14.11533 ± 0.00015 Å
• α: 84.5814 ± 0.0009°
• β: 72.0161 ± 0.001°
• γ: 86.2523 ± 0.0009°
• Cell volume: 1939.24 ± 0.04 ų
• Cell temperature: 132.99 ± 0.1 K
• Ambient diffraction temperature: 132.99 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No