Information card for entry 4310794

Structure parameters

• Common name: [Fetren(2ImH)3](ClO4)2 [FeH3(3)](ClO4)2
• Formula: C18 H26 Cl2 Fe N10 O9
• Calculated formula: C18 H26 Cl2 Fe N10 O9
• 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: 9.4848 ± 0.0004 Å
• b: 23.2354 ± 0.0009 Å
• c: 12.2048 ± 0.0005 Å
• α: 90°
• β: 111.147 ± 0.001°
• γ: 90°
• Cell volume: 2508.6 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No