Information card for entry 7054057

Structure parameters

• Formula: C173 H236 Cl4 Fe12 N92 O35 S20
• Calculated formula: C173 H192 Cl4 Fe12 N92 O35 S20
• 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: 17.1614 ± 0.0006 Å
• b: 17.3252 ± 0.0006 Å
• c: 24.4236 ± 0.0007 Å
• α: 70.309 ± 0.003°
• β: 79.499 ± 0.003°
• γ: 77.344 ± 0.003°
• Cell volume: 6624.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1937
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2427
• Weighted residual factors for all reflections included in the refinement: 0.3045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No