Information card for entry 8106440

Structure parameters

• Formula: C36 H42 Cl2 Fe2 N14 O6
• Calculated formula: C36 H42 Cl2 Fe2 N14 O6
• Title of publication: Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ2-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ4-O,N:N′,N′′(2 − )]diiron(III) − dimethylformamide (1/1), C36H42Cl2Fe2N14O6
• Authors of publication: Cao, Xin; Sun, Jianhua; Li, Weihua; Lu, Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 85 - 86
• a: 10.44 ± 0.04 Å
• b: 9.13 ± 0.03 Å
• c: 22.46 ± 0.07 Å
• α: 90°
• β: 100.88 ± 0.04°
• γ: 90°
• Cell volume: 2102 ± 12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No