Information card for entry 7048330

Structure parameters

• Chemical name: ((4-(1'H-[1, 3?-bipyrazol]-1'-yl)phenyl)(phenyl)methanone) ((oxybis(2,1-phenylene))bis(diphenylphosphane)) copper(I) tetrafluoro?borate
• Formula: C55 H42 B Cu F4 N4 O2 P2
• Calculated formula: C55 H42 B Cu F4 N4 O2 P2
• Title of publication: A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs).
• Authors of publication: Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1179 - 1183
• a: 27.2797 ± 0.0002 Å
• b: 30.1904 ± 0.0003 Å
• c: 11.6508 ± 0.0001 Å
• α: 90°
• β: 91.352 ± 0.001°
• γ: 90°
• Cell volume: 9592.75 ± 0.14 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No