Information card for entry 4509355

Structure parameters

• Chemical name: catena-((μ~2~-acetato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-acetato-aqua-cadmium(ii))
• Formula: C14 H22 Cd N4 O5
• Calculated formula: C14 H22 Cd N4 O5
• 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: 10.4707 ± 0.0007 Å
• b: 19.842 ± 0.002 Å
• c: 8.8702 ± 0.0008 Å
• α: 90°
• β: 103.723 ± 0.009°
• γ: 90°
• Cell volume: 1790.3 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0541
• 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