Information card for entry 4516584

Structure parameters

• Formula: C32 H16 N4 O8 Zr
• Calculated formula: C32 H16 N4 O8 Zr
• Title of publication: Elucidating J-Aggregation Effect in Boosting Singlet Oxygen Evolution Using Zirconium-Porphyrin Frameworks: A Comprehensive Structural, Catalytic, and Spectroscopic Study.
• Authors of publication: Feng, Xuenan; Wang, Xiqian; Wang, Hailong; Wu, Hui; Liu, Zhanning; Zhou, Wei; Lin, Qipu; Jiang, Jianzhuang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• a: 38.058 ± 0.012 Å
• b: 10.009 ± 0.004 Å
• c: 7.2953 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2778.9 ± 1.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• RFsqd: 0.39113
• Goodness-of-fit parameter for all reflections: 10.58
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No