Information card for entry 1514491

Structure parameters

• Chemical name: {[ONO]Fe(ortho-C6O2Cl4)}2
• Formula: C75.5 H98 Cl8 Fe2 N2 O8
• Calculated formula: C75.5 H98 Cl8 Fe2 N2 O8
• Title of publication: Disulfide reductive elimination from an iron(iii) complex
• Authors of publication: Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1906
• a: 14.8709 ± 0.0008 Å
• b: 15.747 ± 0.0008 Å
• c: 17.9214 ± 0.001 Å
• α: 94.0663 ± 0.0007°
• β: 111.428 ± 0.0007°
• γ: 95.5142 ± 0.0007°
• Cell volume: 3863 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No