Information card for entry 1551535

Structure parameters

• Common name: (C32H40N6)Fe2(OH)2(BPh4)2(Me2CO)1.2(Et2O)0.5
• Formula: C85.6 H94.2 B2 Fe2 N6 O3.7
• Calculated formula: C85.6 H94.2 B2 Fe2 N6 O3.7
• Title of publication: Crystal Structure of Bis(μ-hydroxo)diiron(II) Complex with a Dinucleating Ligand Having a Butyl Linker
• Authors of publication: SEKINO, Mio; FURUTACHI, Hideki; TASAKI, Kyosuke; ISHIKAWA, Takanao; FUJINAMI, Shuhei; AKINE, Shigehisa; SAKATA, Yoko; SUZUKI, Masatatsu; NOMURA, Takashi; OGURA, Takashi; KITAGAWA, Teizo
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 5
• a: 21.678 ± 0.003 Å
• b: 16.3791 ± 0.0016 Å
• c: 22.447 ± 0.003 Å
• α: 90°
• β: 111.522 ± 0.002°
• γ: 90°
• Cell volume: 7414.5 ± 1.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No