Information card for entry 7217106

Structure parameters

• Formula: C7 H17 Fe2 N2 O16 P3
• Calculated formula: C7 H17 Fe2 N2 O16 P3
• Title of publication: A hybrid open‐framework structure: synthesis and structure of an iron phosphate oxalate, [C10N4H28][Fe2(HPO4)3(C2O4)]2
• Authors of publication: Choudhury, Amitava; Natarajan, Srinivasan
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 3113
• a: 10.8294 ± 0.0009 Å
• b: 12.7465 ± 0.0011 Å
• c: 12.3971 ± 0.0011 Å
• α: 90°
• β: 95.115 ± 0.002°
• γ: 90°
• Cell volume: 1704.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.0825
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No