Information card for entry 1551547

Structure parameters

• Formula: C58 H70 B2 Cl Fe O5 S5
• Calculated formula: C58 H70 B2 Cl Fe O5 S5
• Title of publication: Crystal Structure of a Mononuclear Iron(III) Complex, Chloridopentakis(dimethylsulfoxide-κ<i>O</i>)iron(III) Bis(tetraphenylborate)
• Authors of publication: YOSHIDA, Kosuke; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2018
• Journal volume: 34
• Journal issue: 0
• Pages of publication: 1
• a: 10.4961 ± 0.0016 Å
• b: 14.26 ± 0.002 Å
• c: 19.166 ± 0.003 Å
• α: 90°
• β: 94.512 ± 0.002°
• γ: 90°
• Cell volume: 2859.8 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1749
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No