Information card for entry 4347539

Structure parameters

• Formula: C46 H54 B2 F8 Fe2 N10 O3 S
• Calculated formula: C46 H54 B2 F8 Fe2 N10 O3 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: 13.9029 ± 0.0014 Å
• b: 22.561 ± 0.002 Å
• c: 15.73 ± 0.0016 Å
• α: 90°
• β: 96.023 ± 0.003°
• γ: 90°
• Cell volume: 4906.7 ± 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: 0.1079
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No