Information card for entry 1558803

Structure parameters

• Formula: C26 H38 Fe N2 Si
• Calculated formula: C26 H38 Fe N2 Si
• Title of publication: The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction
• Authors of publication: Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 7.46458 ± 0.00013 Å
• b: 17.4351 ± 0.0003 Å
• c: 10.11223 ± 0.00013 Å
• α: 90°
• β: 99.0427 ± 0.0014°
• γ: 90°
• Cell volume: 1299.71 ± 0.04 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No