Information card for entry 4310792

Structure parameters

• Common name: Fetren(4Im)3, Fe(2)
• Formula: C18 H27 Fe N10 O3
• Calculated formula: C18 H21 Fe N10 O3
• Title of publication: Proton Control of Oxidation and Spin State in a Series of Iron Tripodal Imidazole Complexes
• Authors of publication: Cynthia Brewer; Greg Brewer; Charles Luckett; Gwen S. Marbury; Carol Viragh; Alicia M. Beatty; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2402 - 2415
• a: 20.2707 ± 0.0005 Å
• b: 20.2707 ± 0.0005 Å
• c: 20.2707 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8329.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No