Information card for entry 4129343

Structure parameters

• Formula: C42 H67 Co N16 O4 S3
• Calculated formula: C42 H67 Co N16 O4 S3
• 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: 9.712 ± 0.0008 Å
• b: 24.68 ± 0.002 Å
• c: 21.697 ± 0.0018 Å
• α: 90°
• β: 92.404 ± 0.005°
• γ: 90°
• Cell volume: 5196 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No