Information card for entry 4347540

Structure parameters

• Formula: C51 H64 B2 F8 Fe2 N10 O3 S
• Calculated formula: C51 H64 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: 13.068 ± 0.002 Å
• b: 13.342 ± 0.002 Å
• c: 17.83 ± 0.003 Å
• α: 104.02 ± 0.005°
• β: 93.043 ± 0.004°
• γ: 106.951 ± 0.004°
• Cell volume: 2859.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No