Information card for entry 2021644

Structure parameters

• Chemical name: <i>catena</i>-Poly[hemi-μ-aqua-aqua(μ~3~-4,4'-{9,9'-spirobi[10<i>H</i>-\ acridine]-10,10'-diyl}dibenzoato)cadmium(II)]
• Formula: C39 H27 Cd N2 O5.5
• Calculated formula: C39 H27 Cd N2 O5.5
• Title of publication: Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen
• Authors of publication: Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 27.4361 ± 0.0019 Å
• b: 9.0861 ± 0.0009 Å
• c: 40.473 ± 0.002 Å
• α: 90°
• β: 108.581 ± 0.007°
• γ: 90°
• Cell volume: 9563.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes