Information card for entry 8105454

Structure parameters

• Formula: C20 H15 Cl Mn0.5 N4 O3.5
• Calculated formula: C20 H15 Cl Mn0.5 N4 O3.5
• Title of publication: Crystal structure of dichlorido-bis[2-(2-(3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl)phenoxy)benzoic acidmanganese(II) monohydrate, C40H30N8O7MnCl2
• Authors of publication: Xu, Qiang; Zhang, Hong Yan; Luo, Xiao fang; Li, Guo qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1315 - 1317
• a: 13.0864 ± 0.0007 Å
• b: 25.6216 ± 0.0009 Å
• c: 12.2253 ± 0.0007 Å
• α: 90°
• β: 112.027 ± 0.006°
• γ: 90°
• Cell volume: 3799.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No