Information card for entry 4513491

Structure parameters

• Formula: C11 H12 N2 O7 Zn
• Calculated formula: C11 H12 N2 O7 Zn
• Title of publication: Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction
• Authors of publication: Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4185
• a: 8.8542 ± 0.0008 Å
• b: 8.8835 ± 0.0007 Å
• c: 9.6729 ± 0.0008 Å
• α: 68.344 ± 0.003°
• β: 82.253 ± 0.004°
• γ: 70.261 ± 0.003°
• Cell volume: 665.54 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No