Information card for entry 7131073

Structure parameters

• Formula: C120 H104 B7 F28 N28 Ni4 O10.5 S4
• Calculated formula: C120 H98 B7 F28 N28 Ni4 O10.5 S4
• Title of publication: Light-switched selective catalysis with NADH mimic functionalized metal-organic capsules.
• Authors of publication: Wei, Jianwei; Zhao, Liang; Zhang, Yu; Zhou, Peng; Liu, Guangzhou; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 71 - 74
• a: 29.073 ± 0.003 Å
• b: 22.669 ± 0.002 Å
• c: 28.741 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18942 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.2262
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No