Information card for entry 4131354

Structure parameters

• Formula: C19 H42 B Fe N3 P2
• Calculated formula: C19 H42 B Fe N3 P2
• SMILES: [FeH]123([P](N(c4[n]2c(N([P]1(C(C)C)C(C)C)C)ccc4)C)(C(C)C)C(C)C)[H][BH2][H]3
• Title of publication: Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.
• Authors of publication: Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 24
• Pages of publication: 8130 - 8133
• a: 11.1208 ± 0.0003 Å
• b: 11.3351 ± 0.0003 Å
• c: 18.5681 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340.61 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0284
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No