Information card for entry 7248215

Structure parameters

• Formula: C6 H14 Cl2 Fe N O5
• Calculated formula: C6 H14 Cl2 Fe N O5
• Title of publication: Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity
• Authors of publication: Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 1892 - 1901
• a: 7.488 ± 0.0003 Å
• b: 8.597 ± 0.0004 Å
• c: 9.896 ± 0.0003 Å
• α: 90.603 ± 0.003°
• β: 99.679 ± 0.003°
• γ: 95.105 ± 0.003°
• Cell volume: 625.28 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.448
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No