Information card for entry 4339399

Structure parameters

• Formula: C18 H9 Cl4 Fe N O3
• Calculated formula: C18 H9 Cl4 Fe N O3
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].O1c2cccc3Oc4cccc5Oc6cccc1c6N(c23)c45
• Title of publication: Magnetic interaction of tri- and di-oxytriphenylamine radical cation FeCl4 salts.
• Authors of publication: Kuratsu, Masato; Suzuki, Shuichi; Kozaki, Masatoshi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Okada, Keiji
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10153 - 10157
• a: 22.743 ± 0.006 Å
• b: 12.608 ± 0.003 Å
• c: 16.053 ± 0.004 Å
• α: 90°
• β: 129.009 ± 0.003°
• γ: 90°
• Cell volume: 3576.8 ± 1.6 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No