Information card for entry 4339398

Structure parameters

• Formula: C18 H11 Cl4 Ga N O2
• Calculated formula: C18 H11 Cl4 Ga N O2
• SMILES: [Ga](Cl)(Cl)([Cl-])Cl.O1c2c(N3c4c1cccc4Oc1c3cccc1)cccc2
• 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: 9.937 ± 0.002 Å
• b: 13.082 ± 0.003 Å
• c: 15.677 ± 0.004 Å
• α: 90°
• β: 112.065 ± 0.004°
• γ: 90°
• Cell volume: 1888.7 ± 0.8 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No