Information card for entry 4129279

Structure parameters

• Formula: C132 H96 N6 O16 Zr3
• Calculated formula: C132 H87 N6 O16 Zr3
• Title of publication: New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.
• Authors of publication: Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 6
• Pages of publication: 2235 - 2238
• a: 25.402 ± 0.004 Å
• b: 25.402 ± 0.004 Å
• c: 25.402 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16391 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No