Information card for entry 4509360

Structure parameters

• Chemical name: catena-(bis(μ~2~-5-hydroxy-benzene-1,3-dicarboxylato)-bis(μ~2~-3,3',5,5'- tetramethyl-4,4'-bipyrazole)-di-zinc(ii) hydrate)
• Formula: C72 H74 N16 O23.2 Zn4
• Calculated formula: C72 H74 N16 O23.204 Zn4
• Title of publication: Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands
• Authors of publication: Hunger, Jens; Krautscheid, Harald; Sieler, Joachim
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4613
• a: 13.9736 ± 0.0015 Å
• b: 21.3073 ± 0.0016 Å
• c: 27.066 ± 0.003 Å
• α: 90°
• β: 100.549 ± 0.013°
• γ: 90°
• Cell volume: 7922.4 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No