Information card for entry 7021319

Structure parameters

• Formula: C56 H65 Fe N4 P
• Calculated formula: C56 H65 Fe N4 P
• SMILES: [Fe]123[N](C45CC6CC(CC(C4)C6)C5)=P(c4ccccc4N1c1c(cc(cc1C[NH]3C13CC4CC(CC(C1)C4)C3)C)C)(c1ccccc1N2c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Iron-mediated C-H bond amination by organic azides on a tripodal bis(anilido)iminophosphorane platform.
• Authors of publication: Xiao, Jie; Deng, Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5607 - 5610
• a: 12.817 ± 0.003 Å
• b: 16.341 ± 0.003 Å
• c: 22.588 ± 0.005 Å
• α: 90°
• β: 101.303 ± 0.004°
• γ: 90°
• Cell volume: 4639.1 ± 1.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.1139
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No