Information card for entry 3000570

Structure parameters

• Chemical name: 4-((5-bromo-2-hydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one-dichlorido-iron(iii)
• Formula: C18 H16.2 Br Cl2 Fe N3 O2.6
• Authors of publication: Erik Rakovský
• Journal of publication: To be published
• a: 18.7876 ± 0.0005 Å
• b: 15.7007 ± 0.0006 Å
• c: 13.9795 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4123.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No