Information card for entry 7712154

Structure parameters

• Formula: C31.8 H33.7 Cl6 Fe4 N4.7 O6.4
• Calculated formula: C31.8 H30 Cl6 Fe4 N4.7 O6.4
• Title of publication: Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with <i>in situ</i> formed ligands from methyl-2-pyridyl ketone transformations.
• Authors of publication: Tzani, Sofia; Pissas, Michael; Psycharis, Vassilis; Pantazis, Dimitrios A.; Sanakis, Yiannis; Raptopoulou, Catherine P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1582 - 1594
• a: 34.0344 ± 0.0002 Å
• b: 34.0344 ± 0.0002 Å
• c: 21.8653 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21934.2 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No