Information card for entry 7056975

Structure parameters

• Formula: C16 H22 Ba Cl2 O11
• Calculated formula: C16 H22 Ba Cl2 O11
• Title of publication: Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids
• Authors of publication: Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4155
• a: 7.109 ± 0.001 Å
• b: 7.478 ± 0.001 Å
• c: 21.187 ± 0.004 Å
• α: 82.464 ± 0.003°
• β: 89.801 ± 0.002°
• γ: 87.715 ± 0.003°
• Cell volume: 1115.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No