Information card for entry 4119088

Structure parameters

• Common name: holjs90
• Formula: C74 H106 Fe2 N4 O2
• Calculated formula: C74 H106 Fe2 N4 O2
• Title of publication: Synthesis, Structure, and Spectroscopy of an Oxodiiron(II) Complex
• Authors of publication: Eckert, Nathan A.; Stoian, Sebastian; Smith, Jeremy M.; Bominaar, Emile L.; Münck, Eckard; Holland, Patrick L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9344 - 9345
• a: 24.3801 ± 0.0015 Å
• b: 12.0679 ± 0.0007 Å
• c: 25.8748 ± 0.0016 Å
• α: 90°
• β: 108.663 ± 0.001°
• γ: 90°
• Cell volume: 7212.5 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0928
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No