Information card for entry 7054060

Structure parameters

• Formula: C93.5 H142 F3 Fe6.5 N46.5 O15 S10.5
• Calculated formula: C84.5 H96 F3 Fe6.5 N46.5 O5 S10.5
• 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: 45.2573 ± 0.0013 Å
• b: 27.5089 ± 0.0006 Å
• c: 28.4547 ± 0.0009 Å
• α: 90°
• β: 119.372 ± 0.004°
• γ: 90°
• Cell volume: 30871.7 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.3198
• Weighted residual factors for all reflections included in the refinement: 0.3644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No