Information card for entry 7031530

Structure parameters

• Chemical name: Fe(BPyA)SO4
• Formula: C36 H63 Fe2 N6 O17.5 S2
• Calculated formula: C36.02 H50 Fe2 N6 O17.52 S2
• Title of publication: Mechanism of water oxidation by non-heme iron catalysts when driven with sodium periodate.
• Authors of publication: Parent, Alexander R.; Nakazono, Takashi; Lin, Shu; Utsunomiya, Satoshi; Sakai, Ken
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12501 - 12513
• a: 16.051 ± 0.005 Å
• b: 19.314 ± 0.006 Å
• c: 14.958 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4637 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No