Information card for entry 7207864

Structure parameters

• Formula: C12 H8 N2 O4 Zn
• Calculated formula: C12 H8 N2 O4 Zn
• Title of publication: Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents
• Authors of publication: Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3708
• a: 6.3889 ± 0.0004 Å
• b: 11.0946 ± 0.0007 Å
• c: 16.6876 ± 0.001 Å
• α: 90°
• β: 95.688 ± 0.001°
• γ: 90°
• Cell volume: 1177.03 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No