Information card for entry 1572870

Structure parameters

• Formula: C54 H61 Co N6 O25 S2 Tb
• Calculated formula: C54 H61 Co N6 O25 S2 Tb
• Title of publication: Visible Light Mediated Photocatalysis by Lanthanide Metal-Organic Frameworks: Enhanced Specificity and Mechanistic Insights
• Authors of publication: Gupta, Rajeev; Gupta, Ruchika; Aashish, Aashish; Upma, Upma; Majumdar, Shubhangi; Chowdhury, Pramit Kumar
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 13.6097 ± 0.0008 Å
• b: 13.9046 ± 0.0008 Å
• c: 18.5959 ± 0.0011 Å
• α: 68.205 ± 0.002°
• β: 70.537 ± 0.002°
• γ: 81.543 ± 0.002°
• Cell volume: 3079.7 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No