Information card for entry 4119547

Structure parameters

• Formula: C48 H49 B Fe N2 P2 Si2
• Calculated formula: C48 H49 B Fe N2 P2 Si2
• SMILES: [Fe]1234([P](c5ccccc5)(c5c(cccc5)[B]4(c4c([P]1(c1ccccc1)c1ccccc1)cccc4)[C]13=[CH]2C=CC=C1)c1ccccc1)=NN1[Si](C)(C)CC[Si]1(C)C
• Title of publication: H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2
• Authors of publication: Daniel L. M. Suess; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 4938 - 4941
• a: 10.7196 ± 0.0006 Å
• b: 18.1906 ± 0.0011 Å
• c: 21.7101 ± 0.001 Å
• α: 90°
• β: 92.637 ± 0.002°
• γ: 90°
• Cell volume: 4228.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No