Information card for entry 4315983

Structure parameters

• Common name: holrc23
• Formula: C90 H145 Fe2 N7
• Calculated formula: C90 H145 Fe2 N7
• Title of publication: Three-Coordinate Terminal Imidoiron(III) Complexes: Structure, Spectroscopy, and Mechanism of Formation
• Authors of publication: Ryan E. Cowley; Nathan J. DeYonker; Nathan A. Eckert; Thomas R. Cundari; Serena DeBeer; Eckhard Bill; Xavier Ottenwaelder; Christine Flaschenriem; Patrick L. Holland
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6172 - 6187
• a: 13.282 ± 0.003 Å
• b: 15.629 ± 0.003 Å
• c: 21.057 ± 0.004 Å
• α: 94.791 ± 0.004°
• β: 102.722 ± 0.004°
• γ: 93.567 ± 0.004°
• Cell volume: 4234.3 ± 1.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No