Information card for entry 4302829

Structure parameters

• Formula: C23 H35 Cl2 Fe N10 O1.5
• Calculated formula: C23 H33 Cl2 Fe N10 O1.5
• Title of publication: One-Step and Two-Step Spin-Crossover Iron(II) Complexes of ((2-Methylimidazol-4-yl)methylidene)histamine
• Authors of publication: Tetsuya Sato; Koshiro Nishi; Seiichiro Iijima; Masaaki Kojima; Naohide Matsumoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7211 - 7229
• a: 9.13 ± 0.002 Å
• b: 16.536 ± 0.004 Å
• c: 19.866 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2999.2 ± 1.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No