Information card for entry 4311307

Structure parameters

• Chemical name: [Fe(II)-2im],H2O
• Formula: C18 H24 Fe N10 O
• Calculated formula: C18 H24 Fe N10 O
• Title of publication: Imidazole and Imidazolate Iron Complexes: On the Way for Tuning 3D-Structural Characteristics and Reactivity. Redox Interconversions Controlled by Protonation State
• Authors of publication: François Lambert; Clotilde Policar; Stephanie Durot; Michèle Cesario; Lu Yuwei; Hafsa Korri-Youssoufi; Bineta Keita; Louis Nadjo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4178 - 4188
• a: 10.939 ± 0.005 Å
• b: 10.939 ± 0.005 Å
• c: 19.558 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2026.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.137
• Weighted residual factors for significantly intense reflections: 0.0953
• Goodness-of-fit parameter for all reflections: 0.851
• Goodness-of-fit parameter for significantly intense reflections: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No