Information card for entry 4312404

Structure parameters

• Formula: C42 H57 Fe2 N21 O3
• Calculated formula: C42 H57 Fe2 N20.99 O2.97
• Title of publication: A New Family of Spin Crossover Complexes with a Tripod Ligand Containing Three Imidazoles: Synthesis, Characterization, and Magnetic Properties of [FeIIH3LMe](NO3)2.1.5H2O, [FeIIILMe].3.5H2O, [FeIIH3LMe][FeIILMe]NO3, and [FeIIH3LMe][FeIIILMe](NO3)2 (H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)
• Authors of publication: Yuichi Ikuta; Makoto Ooidemizu; Yuichi Yamahata; Masahiro Yamada; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Yukinari Sunatsuki; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7001 - 7017
• a: 12.093 ± 0.002 Å
• b: 12.093 ± 0.002 Å
• c: 28.35 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3590.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No