Information card for entry 7236544

Structure parameters

• Chemical name: Zn-PDA2
• Formula: C72 H60 N6 O20 Zn4
• Calculated formula: C72 H60 N6 O20 Zn4
• Title of publication: Highly efficient photocatalytic hydrogen production from pure water via a photoactive metal‒organic framework and its PDMS@MOF
• Authors of publication: Wu, Pengyan; Jiang, Min; Li, Yang; Liu, Yanhong; Wang, Jian
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 17
• Pages of publication: 7833
• a: 14.7811 ± 0.0005 Å
• b: 38.2896 ± 0.0013 Å
• c: 16.6609 ± 0.0006 Å
• α: 90°
• β: 94.001 ± 0.002°
• γ: 90°
• Cell volume: 9406.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2149
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No