Information card for entry 7056637

Structure parameters

• Formula: C16 H16 Ba Cl6 O10
• Calculated formula: C16 H16 Ba Cl6 O10
• Title of publication: A facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid
• Authors of publication: Xu, Xiu ling; Hu, Fan; Shuai, Qi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 13319 - 13326
• a: 4.2229 ± 0.0006 Å
• b: 13.994 ± 0.002 Å
• c: 42.276 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No