Information card for entry 4332715

Structure parameters

• Formula: C32 H40 Fe2 N2
• Calculated formula: C32 H40 Fe2 N2
• SMILES: c1(ccccc1)N1[Fe]23456([c]7([c]3([c]2([c]5([c]47C)C)C)C)C)N(c2ccccc2)[Fe]234516[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Diiron Amido−Imido Complex [(Cp*Fe)2(μ2-NHPh)(μ2-NPh)]: Synthesis and a Net Hydrogen Atom Abstraction Reaction To Form a Bis(imido) Complex
• Authors of publication: Takemoto, Shin; Ogura, Shin-ichiro; Yo, Ho; Hosokoshi, Yuko; Kamikawa, Ken; Matsuzaka, Hiroyuki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 4871 - 4873
• a: 17.918 ± 0.006 Å
• b: 11.82 ± 0.003 Å
• c: 13.751 ± 0.003 Å
• α: 90°
• β: 93.07 ± 0.02°
• γ: 90°
• Cell volume: 2908.2 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No