Information card for entry 7242692

Structure parameters

• Formula: C36 H44 Cu10 I4 N12 O S6
• Calculated formula: C36 H42 Cu10 I4 N12 O S6
• Title of publication: Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls
• Authors of publication: Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 25
• Pages of publication: 14899 - 14904
• a: 14.182 ± 0.002 Å
• b: 14.182 ± 0.002 Å
• c: 29.472 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5927.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No