Information card for entry 7054058

Structure parameters

• Formula: C36 H28 Fe4 N15.5 O7.7 S7
• Calculated formula: C36 H28 Fe4 N15.5 O7.7 S7
• Title of publication: Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands
• Authors of publication: Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 5
• Pages of publication: 2105
• a: 20.2912 ± 0.0006 Å
• b: 11.7876 ± 0.0005 Å
• c: 22.1837 ± 0.0006 Å
• α: 90°
• β: 98.084 ± 0.003°
• γ: 90°
• Cell volume: 5253.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.098
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No