Information card for entry 7221659

Structure parameters

• Formula: C20 H18 N4 O4 Zn
• Calculated formula: C20 H18 N4 O4 Zn
• Title of publication: Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid
• Authors of publication: Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 6724
• a: 13.2788 ± 0.0002 Å
• b: 8.3693 ± 0.0001 Å
• c: 16.8959 ± 0.0004 Å
• α: 90°
• β: 102.025 ± 0.002°
• γ: 90°
• Cell volume: 1836.51 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No