Information card for entry 7245716

Structure parameters

• Formula: C48 H48 Br Cu N6 O3 P2
• Calculated formula: C48 H48 Br 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: 12.9413 ± 0.0001 Å
• b: 16.4751 ± 0.0001 Å
• c: 21.8307 ± 0.0002 Å
• α: 90°
• β: 100.304 ± 0.001°
• γ: 90°
• Cell volume: 4579.44 ± 0.06 ų
• Cell temperature: 286 ± 6 K
• Ambient diffraction temperature: 286 ± 6 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: 0.061
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No