Information card for entry 1540651

Structure parameters

• Formula: C11 H24 Br2 Fe N4
• Calculated formula: C11 H24 Br2 Fe N4
• SMILES: Br[Fe]12(Br)([N]#CC)[N]3(CC[N]1(CC[N]2(CC3)C)C)C
• Title of publication: Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts
• Authors of publication: Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 1037
• a: 16.3535 ± 0.0018 Å
• b: 12.5257 ± 0.0013 Å
• c: 7.6117 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1559.2 ± 0.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No