Information card for entry 8102423

Structure parameters

• Formula: C20 H18 N8 O5 Zn
• Calculated formula: C20 H18 N8 O5 Zn
• Title of publication: Crystal structure of bis(2,2'-biimidazole)zinc(II) benzene-1,2-dicarboxylate monohydrate, Zn(C6H6N4)2(C8H4O4) · H2O
• Authors of publication: Qing-Wei Wang; Yao-Yang Xu; Zhan-Lin Xu; Jia-Jun Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 157
• a: 10.0039 ± 0.0008 Å
• b: 11.6195 ± 0.0009 Å
• c: 18.197 ± 0.0014 Å
• α: 90°
• β: 96.404 ± 0.001°
• γ: 90°
• Cell volume: 2102 ± 0.3 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: 0.067
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No