Information card for entry 4509593

Structure parameters

• Common name: Zinc Carboxylate
• Formula: C46 H30 N6 O17 Zn5
• Calculated formula: C46 H30 N6 O17 Zn5
• Title of publication: Time- and Temperature-Dependent Study in the Three-Component Zinc-Triazolate-Oxybis(benzoate) System: Stabilization of New Topologies
• Authors of publication: Mahata, Partha; Prabu, Manikanda; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3683
• a: 15.0444 ± 0.0003 Å
• b: 19.1731 ± 0.0004 Å
• c: 16.868 ± 0.0003 Å
• α: 90°
• β: 102.463 ± 0.001°
• γ: 90°
• Cell volume: 4750.88 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No