Information card for entry 7009110

Structure parameters

• Formula: C20 H21 Cl Fe N3 O2
• Calculated formula: C20 H21 Cl Fe N3 O2
• Title of publication: Structure, magnetic properties and epoxidation activity of iron(III) salicylaldimine complexes
• Authors of publication: Shyu, Huey-Lih; Wei, Ho-Hsiang; Lee, Gene-Hsaing; Wang, Yu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 915
• a: 14.701 ± 0.004 Å
• b: 13.552 ± 0.004 Å
• c: 19.941 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3972.8 ± 1.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.48
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No