Information card for entry 7048331

Structure parameters

• Chemical name: ((4-(1'H-[1, 3?-bipyrazol]-1'-yl)phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone)((oxybis(2,1-phenylene))bis(diphenylphosphane)) copper(I) tetra-fluoroborate, mono-dichloromethane
• Formula: C68 H51 B Cl2 Cu F4 N5 O3 P2
• Calculated formula: C68 H51 B Cl2 Cu F4 N5 O3 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: 14.541 ± 0.0005 Å
• b: 15.2405 ± 0.0004 Å
• c: 16.9377 ± 0.0006 Å
• α: 96.877 ± 0.003°
• β: 106.932 ± 0.003°
• γ: 113.006 ± 0.003°
• Cell volume: 3186.9 ± 0.2 ų
• Cell temperature: 99.99 ± 0.17 K
• Ambient diffraction temperature: 99.99 ± 0.17 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: 0.0508
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No