Information card for entry 2238748

Structure parameters

• Chemical name: Bis[μ-3,5-bis(pyridin-2-yl)-1<i>H</i>-pyrazole]bis[dibromidoiron(III)]
• Formula: C26 H18 Br4 Fe2 N8
• Calculated formula: C26 H18 Br4 Fe2 N8
• SMILES: c1cccc2c3cc4c5[n](cccc5)[Fe]56([n]4n3[Fe]3([n]12)(Br)(Br)[n]1c(cc(c2cccc[n]52)n61)c1[n]3cccc1)(Br)Br
• Title of publication: Bis[μ-3,5-bis(pyridin-2-yl)-1<i>H</i>-pyrazole]bis[dibromidoiron(III)]
• Authors of publication: Katsuta, Nagisa; Mishima, Akio; Fuyuhiro, Akira; Hayami, Shinya; Kawata, Satoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m574
• a: 18.18 ± 0.004 Å
• b: 14.857 ± 0.003 Å
• c: 10.53 ± 0.003 Å
• α: 90°
• β: 94.646 ± 0.003°
• γ: 90°
• Cell volume: 2834.8 ± 1.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No