Information card for entry 7005765

Structure parameters

• Common name: [Fe(SBH(OMe)3)2]NO3 - pentanes
• Formula: C39 H34 Fe N5 O13
• Calculated formula: C39 H34 Fe N5 O13
• Title of publication: Modifications of boronic ester pro-chelators triggered by hydrogen peroxide tune reactivity to inhibit metal-promoted oxidative stress.
• Authors of publication: Charkoudian, Louise K.; Pham, David M.; Kwon, Ashley M.; Vangeloff, Abbey D.; Franz, Katherine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 5031 - 5042
• a: 11.7263 ± 0.0011 Å
• b: 28.622 ± 0.003 Å
• c: 12.2079 ± 0.0013 Å
• α: 90°
• β: 96.464 ± 0.005°
• γ: 90°
• Cell volume: 4071.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1673
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No