Information card for entry 7034907

Structure parameters

• Formula: C55 H45 Cl8 F4 Fe N4 S Si
• Calculated formula: C55 H45 Cl8 F4 Fe N4 S Si
• Title of publication: Synthesis, characterization, and atropisomerism of iron complexes containing the tetrakis(2-chloro-6-fluorophenyl)porphyrinate ligand.
• Authors of publication: Meininger, Daniel J.; Muzquiz, Nicanor; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9486 - 9495
• a: 11.785 ± 0.002 Å
• b: 21.887 ± 0.004 Å
• c: 12.845 ± 0.002 Å
• α: 90°
• β: 117.128 ± 0.0019°
• γ: 90°
• Cell volume: 2948.7 ± 0.9 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No