Information card for entry 2311848

Structure parameters

• Formula: C11 H7 N5 O4 S Zn
• Calculated formula: C11 H7 N5 O4 S Zn
• Title of publication: A new two-dimensional extended adenine and thiophenecarboxylate mixed-ligand zinc(II) complex: synthesis, structure, thermostability and luminescent properties.
• Authors of publication: Liu, Yang; Feng, Yong Lan; Fu, Wei Wei
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 12
• Pages of publication: 1069 - 1073
• a: 16.7143 ± 0.0004 Å
• b: 16.7143 ± 0.0004 Å
• c: 9.4518 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2640.53 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No