Information card for entry 7109125

Structure parameters

• Formula: C42 H36 Cu5 Gd2 I8 N6 O34
• Calculated formula: C42 H36 Cu5 Gd2 I8 N6 O34
• 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: 12.39 ± 0.002 Å
• b: 13.575 ± 0.003 Å
• c: 22.512 ± 0.005 Å
• α: 90°
• β: 104.811 ± 0.003°
• γ: 90°
• Cell volume: 3660.6 ± 1.3 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: 0.0715
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No