Information card for entry 7062331

Structure parameters

• Formula: C100 H80 B2 Cl4 Cu2 F8 N8 O2 P4
• Calculated formula: C100 H80 B2 Cl4 Cu2 F8 N8 O2 P4
• Title of publication: Heteroleptic copper(i) complexes bearing functionalized 1H-pyrazole-bipyridine ligands: synthesis, photophysical properties, crystal structures, and applications in halogen sensing
• Authors of publication: Tong, Jin; Zhao, Li-Rong; Zhang, Jin; Wang, Xia-Yan; Yu, Yan-Min; Yu, Shu-Yan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 4374 - 4385
• a: 14.1686 ± 0.0003 Å
• b: 17.2839 ± 0.0005 Å
• c: 22.4313 ± 0.0006 Å
• α: 67.431 ± 0.003°
• β: 76.762 ± 0.002°
• γ: 86.734 ± 0.002°
• Cell volume: 4934.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No