Information card for entry 4129342

Structure parameters

• Formula: C134 H179 Co4 N52 O15.5 S12
• Calculated formula: C133.98 H168 Co4 N52 O15.49 S12
• Title of publication: A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.
• Authors of publication: Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 11
• Pages of publication: 3967 - 3974
• a: 24.7411 ± 0.0013 Å
• b: 24.7411 ± 0.0013 Å
• c: 109.349 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 57967 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No