Information card for entry 1544757

Structure parameters

• Common name: Compound 6'
• Chemical name: {[SiP(NMe)3]FeN2}{Na(THF)3}
• Formula: C45 H69 Fe N5 Na O3 P3 Si
• Calculated formula: C45 H70 Fe N5 Na O3 P3 Si
• Title of publication: Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
• Authors of publication: Creutz, Sidney E.; Peters, Jonas C.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2321 - 2328
• a: 24.918 ± 0.006 Å
• b: 16.256 ± 0.004 Å
• c: 12.349 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5002 ± 2 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No