Information card for entry 7248216

Structure parameters

• Formula: C9 H18 Cl2 Fe N O4
• Calculated formula: C9 H18 Cl2 Fe N O4
• 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: 11.2146 ± 0.0005 Å
• b: 8.5542 ± 0.0003 Å
• c: 15.9856 ± 0.0007 Å
• α: 90°
• β: 109.469 ± 0.004°
• γ: 90°
• Cell volume: 1445.85 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No