Information card for entry 4303239

Structure parameters

• Formula: C112 H68 N12 O8 Zn4
• Calculated formula: C112 H68 N12 O8 Zn4
• Title of publication: Metal-Organic Framework Assembled from T-Shaped and Octahedral Nodes: A Mixed-Linker Strategy To Create a Rare Anatase TiO2 Topology
• Authors of publication: Jennifer M. Verduzco; Haemi Chung; Chunhua Hu; Wonyoung Choe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9060 - 9062
• a: 31.8557 ± 0.0019 Å
• b: 34.817 ± 0.002 Å
• c: 52.617 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 58359 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No