Information card for entry 7226836

Structure parameters

• Chemical name: ammonium iron formate
• Formula: C3 H7 Fe N O6
• Calculated formula: C3 H3 Fe N O6
• Title of publication: Structural distortions in the high-pressure polar phases of ammonium metal formates
• Authors of publication: Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 46
• Pages of publication: 8849
• a: 6.668 ± 0.006 Å
• b: 8.298 ± 0.004 Å
• c: 7.393 ± 0.006 Å
• α: 90°
• β: 116.64 ± 0.11°
• γ: 90°
• Cell volume: 365.6 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1914
• Residual factor for significantly intense reflections: 0.1431
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for significantly intense reflections: 3.31
• Goodness-of-fit parameter for all reflections included in the refinement: 2.44
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.2903 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No