Information card for entry 7108762

Structure parameters

• Formula: C222 H238 Ce4 N42 O44
• Calculated formula: C222 H160 Ce4 N42 O44
• Title of publication: A photoactive basket-like metal-organic tetragon worked as an enzymatic molecular flask for light driven H2 production
• Authors of publication: Cheng He; Jian Wang; Liang Zhao; Tao Liu; Jing Zhang; Chunying Duan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 627
• a: 37.452 ± 0.007 Å
• b: 21.717 ± 0.004 Å
• c: 35.226 ± 0.007 Å
• α: 90°
• β: 105.943 ± 0.003°
• γ: 90°
• Cell volume: 27549 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.197
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No