Information card for entry 7044186

Structure parameters

• Formula: C20 H20 Cl2 Fe N4 O8 S4
• Calculated formula: C20 H20 Cl2 Fe N4 O8 S4
• Title of publication: Iron(II) Complexes of 2-Mercaptopyridine as Rubredoxin Site Analogues
• Authors of publication: Halder, Partha; Ghorai, Santanu; Banerjee, Sridhar; Mondal, Biswajit; Rana, Atanu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.948 ± 0.005 Å
• b: 20.583 ± 0.007 Å
• c: 18.824 ± 0.006 Å
• α: 90°
• β: 109.376 ± 0.01°
• γ: 90°
• Cell volume: 5829 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No