Information card for entry 7718373

Structure parameters

• Formula: C13 H12 Cu2 I2 N4 S
• Calculated formula: C13 H12 Cu2 I2 N4 S
• Title of publication: Visible-light harvesting 2D copper-cluster-based MOFs as efficient ROS generators for selective oxidation of amines.
• Authors of publication: Huang, Huilin; Yang, Qiong; Yao, Kun; Geng, Wenchao; Jing, Xu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 6015 - 6019
• a: 9.2042 ± 0.0007 Å
• b: 9.2118 ± 0.0007 Å
• c: 12.363 ± 0.0009 Å
• α: 99.783 ± 0.002°
• β: 99.239 ± 0.001°
• γ: 119.037 ± 0.002°
• Cell volume: 866.47 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No