Information card for entry 7021512

Structure parameters

• Formula: C24 H32 B F4 Fe N6 O2 S4
• Calculated formula: C24 H32 B F4 Fe N6 O2 S4
• Title of publication: Disulfide/thiol switches in thiosemicarbazone ligands for redox-directed iron chelation.
• Authors of publication: Chang, Tsuhen M.; Tomat, Elisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 7846 - 7849
• a: 10.8891 ± 0.0008 Å
• b: 10.8996 ± 0.0007 Å
• c: 25.8263 ± 0.0019 Å
• α: 90°
• β: 94.284 ± 0.003°
• γ: 90°
• Cell volume: 3056.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0668
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No