Information card for entry 1551528

Structure parameters

• Common name: C17H20N3O2)2Fe2(OH)2(NO3)1.9553Br0.0447(H2O)8
• Formula: C34 H58 Br0.04 Fe2 N7.96 O19.87
• Calculated formula: C34 H58 Br0.0447 Fe2 N7.9553 O19.8659
• Title of publication: Crystal Structure of Bis(μ-hydroxo)diiron(III) Complex with Tripodal Ligands Having a Terminal Carboxylate Group
• Authors of publication: ZHANG, Xi; FURUTACHI, Hideki; OHYAMA, Yuya; FUJINAMI, Shuhei; AKINE, Shigehisa; SUZUKI, Masatatsu
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 17
• a: 10.3845 ± 0.0015 Å
• b: 11.1976 ± 0.0015 Å
• c: 20.389 ± 0.004 Å
• α: 82.119 ± 0.01°
• β: 85.34 ± 0.01°
• γ: 68.871 ± 0.007°
• Cell volume: 2189.3 ± 0.6 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: 0.0481
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No