Information card for entry 4308130

Structure parameters

• Formula: C34 H56 Cl2 Fe2 N10 O9 S4
• Calculated formula: C34 H56 Cl2 Fe2 N10 O9 S4
• Title of publication: Iron(II) Complexes with Amide-Containing Macrocycles as Non-Heme Porphyrin Analogues
• Authors of publication: Ivan V. Korendovych; Olga P. Kryatova; William M. Reiff; Elena V. Rybak-Akimova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4197 - 4211
• a: 9.895 ± 0.003 Å
• b: 14.405 ± 0.004 Å
• c: 16.275 ± 0.004 Å
• α: 90°
• β: 104.088 ± 0.005°
• γ: 90°
• Cell volume: 2250 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No