Information card for entry 1551063

Structure parameters

• Common name: (C29H29N5)2Fe2(OH)2(ClO4)2
• Formula: C58 H60 Cl2 Fe2 N10 O10
• Calculated formula: C58 H60 Cl2 Fe2 N10 O10
• SMILES: C1c2cn(c(c3ccccc3)[n]2[Fe]23([N]1(Cc1[n]2c(n(c1)C)c1ccccc1)Cc1ccccc1)[OH][Fe]12([N](Cc4cn(c(c5ccccc5)[n]14)C)(Cc1[n]2c(n(c1)C)c1ccccc1)Cc1ccccc1)[OH]3)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Synthesis and Crystal Structure of the Bis(μ-hydroxo)diiron(II) Complex with Tridentate Ligands Having a Sterically Bulky Imidazolyl Group
• Authors of publication: Yaguchi, Reiko; Furutachi, Hideki; Shirotsuki, Sanae; Zhang, Xi; Ishikawa, Takanao; Akine, Shigehisa; Tosha, Takehiko; Fujinami, Shuhei; Suzuki, Masatatsu; Kitagawa, Teizo
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 27
• a: 11.007 ± 0.002 Å
• b: 11.5591 ± 0.0012 Å
• c: 12.534 ± 0.002 Å
• α: 63.254 ± 0.012°
• β: 86.458 ± 0.019°
• γ: 79.581 ± 0.017°
• Cell volume: 1400.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No