Information card for entry 4347537

Structure parameters

• Formula: C52 H61 B2 F8 Fe2 N11 O2 S
• Calculated formula: C52 H61 B2 F8 Fe2 N11 O2 S
• Title of publication: Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.
• Authors of publication: Pal, Nabhendu; Majumdar, Amit
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3181 - 3191
• a: 15.0909 ± 0.0011 Å
• b: 22.8058 ± 0.0018 Å
• c: 18.7389 ± 0.0014 Å
• α: 90°
• β: 97.948 ± 0.002°
• γ: 90°
• Cell volume: 6387.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1695
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2503
• Weighted residual factors for all reflections included in the refinement: 0.2896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No