Information card for entry 4500863

Structure parameters

• Formula: C44 H26 F12 N2 O9 S Zn2
• Calculated formula: C44 H26 F12 N2 O9 S Zn2
• Title of publication: Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb System: From a 2-Fold Interpenetrating Pillared-Network to Unique (3,4)-Connected Isomeric Nets
• Authors of publication: Wu, Ya-Pan; Li, Dong-Sheng; Fu, Feng; Dong, Wen-Wen; Zhao, Jun; Zou, Kun; Wang, Yao-Yu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3850
• a: 12.3826 ± 0.0005 Å
• b: 13.7119 ± 0.0005 Å
• c: 26.2216 ± 0.001 Å
• α: 90°
• β: 92.075 ± 0.001°
• γ: 90°
• Cell volume: 4449.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No