Information card for entry 7122507

Structure parameters

• Formula: C72 H50 N2 O10 Zn2
• Calculated formula: C72 H50 N2 O10 Zn2
• Title of publication: Selective photooxidation of sulfides mediated by singlet oxygen using visible-light-responsive coordination polymers.
• Authors of publication: Liang, Xiao; Guo, Zhifen; Wei, Hongxia; Liu, Xin; Lv, Hui; Xing, Hongzhu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 92
• Pages of publication: 13002 - 13005
• a: 7.3263 ± 0.0002 Å
• b: 19.7481 ± 0.0007 Å
• c: 20.1 ± 0.0008 Å
• α: 82.056 ± 0.002°
• β: 85.336 ± 0.002°
• γ: 80.416 ± 0.002°
• Cell volume: 2834.91 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No