Information card for entry 4338290

Structure parameters

• Formula: C33 H40 Cl F6 Fe N4 O Sb
• Calculated formula: C33 H40 Cl F6 Fe N4 O Sb
• Title of publication: Kinetic analysis of the formation and decay of a non-heme ferric hydroperoxide species susceptible to o-o bond homolysis.
• Authors of publication: Zhang, Qiao; Goldsmith, Christian R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5206 - 5211
• a: 10.6535 ± 0.0007 Å
• b: 12.7137 ± 0.0008 Å
• c: 14.3226 ± 0.0009 Å
• α: 99.401 ± 0.001°
• β: 103.677 ± 0.001°
• γ: 107.05 ± 0.001°
• Cell volume: 1744.64 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No