Information card for entry 7244122

Structure parameters

• Formula: C5 H10 Fe N2 O10 P2
• Calculated formula: C5 H10 Fe N2 O10 P2
• Title of publication: N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction
• Authors of publication: Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.1586 ± 0.0002 Å
• b: 10.0083 ± 0.0003 Å
• c: 12.7498 ± 0.0004 Å
• α: 90°
• β: 94.467 ± 0.002°
• γ: 90°
• Cell volume: 1165.12 ± 0.06 ų
• Cell temperature: 295.7 ± 0.5 K
• Ambient diffraction temperature: 295.7 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No