Information card for entry 1551536

Structure parameters

• Common name: [LFe2(PhCO2)(MeCN)](BF4)2_2MeCN_3EtOH
• Formula: C96 H101 B2 F8 Fe2 N13 O6
• Calculated formula: C96 H101 B2 F8 Fe2 N13 O6
• Title of publication: Crystal Structure of μ-Phenoxo-μ-benzoate-bridged Dinuclear Fe(II) Complex with a Dinucleating Ligand Having a Sterically Bulky Imidazolyl Group
• Authors of publication: YASUDA, Yuichi; FURUTACHI, Hideki; HAYASHI, Yosuke; ISHIZAKI, Kana; FUJINAMI, Shuhei; AKINE, Shigehisa; SUZUKI, Masatatsu; NAGATOMO, Shigenori; KITAGAWA, Teizo
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 11
• a: 15.569 ± 0.001 Å
• b: 23.826 ± 0.0008 Å
• c: 24.821 ± 0.002 Å
• α: 90°
• β: 95.346 ± 0.0003°
• γ: 90°
• Cell volume: 9167.2 ± 1 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.085
• 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