Information card for entry 7028288

Structure parameters

• Formula: C25 H18 Cl4 F8 Fe N12
• Calculated formula: C25 H18 Cl4 F8 Fe N12
• Title of publication: Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.
• Authors of publication: Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 646 - 655
• a: 19.5396 ± 0.0016 Å
• b: 23.505 ± 0.002 Å
• c: 7.5642 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3474.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No