Information card for entry 4514530

Structure parameters

• Formula: C90 H78 Co5 N4 O34
• Calculated formula: C90 H78 Co5 N4 O34
• Title of publication: Mixed-Ligand-Architected 2D Co(II)-MOF Expressing a Novel Topology for an Efficient Photoanode for Water Oxidation Using Visible Light.
• Authors of publication: Natarajan, Kaushik; Gupta, Anoop K.; Ansari, Shagufi Naz; Saraf, Mohit; Mobin, Shaikh M.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 13295 - 13303
• a: 14.412 ± 0.005 Å
• b: 21.469 ± 0.005 Å
• c: 35.264 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10911 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No