Information card for entry 4509354

Structure parameters

• Chemical name: catena-(bis(μ~4~-benzene-1,4-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-di-zinc(ii))
• Formula: C13 H11 N2 O4 Zn
• Calculated formula: C13 H11 N2 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: 14.1713 ± 0.0012 Å
• b: 16.6592 ± 0.0014 Å
• c: 12.4549 ± 0.0009 Å
• α: 90°
• β: 108.035 ± 0.009°
• γ: 90°
• Cell volume: 2795.9 ± 0.4 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: 0.0412
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No