Information card for entry 7025400

Structure parameters

• Formula: C35 H34 Br4 Fe6 N8 O13
• Calculated formula: C35 H34 Br4 Fe6 N8 O13
• Title of publication: Synthesis, structures, adsorption behaviour and magnetic properties of a new family of polynuclear iron clusters.
• Authors of publication: Miao, Yan-Li; Liu, Jun-Liang; Lin, Zhuo-Jia; Ou, Yong-Cong; Leng, Ji-Dong; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4893 - 4902
• a: 10.1438 ± 0.0012 Å
• b: 13.908 ± 0.0017 Å
• c: 18.46 ± 0.002 Å
• α: 84.166 ± 0.003°
• β: 78.709 ± 0.003°
• γ: 79.963 ± 0.003°
• Cell volume: 2508.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2071
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.3113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No