Information card for entry 4104321

Structure parameters

• Formula: C15 H27 Br Fe N2
• Calculated formula: C15 H27 Br Fe N2
• SMILES: Br[Fe]1([N](CC[N]1(C)C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Effect of TMEDA on Iron-Catalyzed Coupling Reactions of ArMgX with Alkyl Halides
• Authors of publication: Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6078 - 6079
• a: 15.405 ± 0.002 Å
• b: 8.594 ± 0.0009 Å
• c: 13.0859 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1732.4 ± 0.4 ų
• Cell temperature: 123.1 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: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No