Information card for entry 7228925

Structure parameters

• Formula: C13 H28 Cl4 Fe N O4
• Calculated formula: C13 H28 Cl4 Fe N O4
• Title of publication: Solvate and protic ionic liquids from aza-crown ethers: synthesis, thermal properties, and LCST behavior.
• Authors of publication: Oba, Yukiko; Okuhata, Megumi; Osakai, Toshiyuki; Mochida, Tomoyuki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 3118 - 3127
• a: 9.6258 ± 0.0016 Å
• b: 10.1155 ± 0.0017 Å
• c: 12.305 ± 0.002 Å
• α: 109.255 ± 0.002°
• β: 94.577 ± 0.002°
• γ: 100.77 ± 0.002°
• Cell volume: 1098.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0911
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No