Information card for entry 4132858

Structure parameters

• Formula: C61 H87 B F24 Fe N2 P4 Si3
• Calculated formula: C61 H87 B F24 Fe N2 P4 Si3
• Title of publication: Fe-Catalyzed Conversion of N₂ to N(SiMe₃)₃ via an Fe-Hydrazido Resting State.
• Authors of publication: Piascik, Adam D.; Li, Ruohao; Wilkinson, Harry J.; Green, Jennifer C.; Ashley, Andrew E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10691 - 10694
• a: 11.9577 ± 0.0006 Å
• b: 16.1735 ± 0.0005 Å
• c: 20.8289 ± 0.0013 Å
• α: 94.728 ± 0.004°
• β: 105.621 ± 0.005°
• γ: 95.118 ± 0.003°
• Cell volume: 3840.1 ± 0.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No