Information card for entry 4513518

Structure parameters

• Formula: C14 H8 Cl4 Fe2 N8
• Calculated formula: C14 H10 Cl4 Fe2 N8
• Title of publication: A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)
• Authors of publication: Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4394
• a: 6.8424 ± 0.0004 Å
• b: 9.1998 ± 0.0004 Å
• c: 14.5135 ± 0.001 Å
• α: 79.457 ± 0.005°
• β: 89.008 ± 0.006°
• γ: 88.406 ± 0.004°
• Cell volume: 897.77 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No