Information card for entry 7045260

Structure parameters

• Formula: C64 H48.6 B4 F16 Fe2 N14 O3.25 S6
• Calculated formula: C64 H48 B4 F16 Fe2 N14 O3.25 S6
• Title of publication: Direct monitoring of spin transitions in a dinuclear triple-stranded helicate iron(ii) complex through X-ray photoelectron spectroscopy.
• Authors of publication: Li, Li; Craze, Alexander R.; Akiyoshi, Ryohei; Tsukiashi, Asami; Hayami, Shinya; Mustonen, Outi; Bhadbhade, Mohan M.; Bhattacharyya, Saroj; Marjo, Christopher E.; Wang, Yun; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2543 - 2548
• a: 11.806 ± 0.002 Å
• b: 15.605 ± 0.003 Å
• c: 22.029 ± 0.004 Å
• α: 89.52 ± 0.03°
• β: 85.48 ± 0.03°
• γ: 73.49 ± 0.03°
• Cell volume: 3878.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No