Information card for entry 4509357

Structure parameters

• Chemical name: catena-((μ~2~-benzene-1,3-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-zinc(ii))
• Formula: C18 H18 N4 O4 Zn
• Calculated formula: C18 H18 N4 O4 Zn
• 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: 8.8317 ± 0.0003 Å
• b: 13.4885 ± 0.0005 Å
• c: 16.2387 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1934.46 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No