Information card for entry 7245781

Structure parameters

• Formula: Fe H30 N15 O15
• Calculated formula: Fe H30 N15 O15
• Title of publication: Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii)
• Authors of publication: Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 16.8316 ± 0.0004 Å
• b: 14.7115 ± 0.0004 Å
• c: 20.1791 ± 0.0006 Å
• α: 90°
• β: 93.4 ± 0.001°
• γ: 90°
• Cell volume: 4987.9 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No