Information card for entry 4309629

Structure parameters

• Formula: C21 H30 Cl Fe I3 N10
• Calculated formula: C21 H30 Cl Fe I3 N10
• Title of publication: A 2D Layered Spin Crossover Complex Constructed by NH...Cl-Hydrogen Bonds: [FeIIH3LMe]Cl.I3 (H3LMe= Tris[2-(((2-methylimidazoyl-4-yl)methylidene)amino)ethyl]amine
• Authors of publication: Masahiro Yamada; Eri Fukumoto; Makoto Ooidemizu; Nicolas Bréfuel; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima; Nazzareno Re; Françoise Dahan; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6967 - 6974
• a: 14.0532 ± 0.0016 Å
• b: 13.0076 ± 0.0009 Å
• c: 17.2046 ± 0.0018 Å
• α: 90°
• β: 90.035 ± 0.013°
• γ: 90°
• Cell volume: 3145 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No