Information card for entry 4131356

Structure parameters

• Formula: C19 H41 Fe N3 P2
• Calculated formula: C19 H41 Fe N3 P2
• SMILES: [FeH4]12[P](N(c3[n]2c(N([P]1(C(C)C)C(C)C)C)ccc3)C)(C(C)C)C(C)C
• 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: 28.0364 ± 0.0019 Å
• b: 11.6906 ± 0.0008 Å
• c: 13.9459 ± 0.0009 Å
• α: 90°
• β: 97.324 ± 0.002°
• γ: 90°
• Cell volume: 4533.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for significantly intense reflections: 1.61
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No