Information card for entry 7109126

Structure parameters

• Formula: C42 H36 Cu5 I8 N6 O34 Tb2
• Calculated formula: C42 H36 Cu5 I8 N6 O34 Tb2
• Title of publication: Iodine-templated assembly of unprecedented 3d-4f metal-organic frameworks as photocatalysts for hydrogen generation
• Authors of publication: Xiao-Li Hu; Chun-Yi Sun; Chao Qin; Xin-Long Wang; Hai-Ning Wang; En-Long Zhou; Wen-E Li; Zhong-Min Su
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3564
• a: 12.3775 ± 0.001 Å
• b: 13.5563 ± 0.0012 Å
• c: 22.4534 ± 0.0019 Å
• α: 90°
• β: 105.004 ± 0.001°
• γ: 90°
• Cell volume: 3639.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No