Information card for entry 4127738

Structure parameters

• Formula: C124 H104 Cl6 Fe4 N30 O36
• Calculated formula: C124 H98 Cl6 Fe4 N30 O36
• Title of publication: Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.
• Authors of publication: Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12707 - 12716
• a: 19.841 ± 0.0013 Å
• b: 19.841 ± 0.0013 Å
• c: 22.7968 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8974.3 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No