Information card for entry 1559852

Structure parameters

• Formula: C37 H38 B2 F6 Fe N10 Sb
• Calculated formula: C37 H38 B2 F6 Fe N10 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Fe]1234([n]5n(ccc5)[B](n5[n]1ccc5)(c1ccc(cc1)C)c1[n]2c(ccc1)[B](n1[n]3ccc1)(n1[n]4ccc1)c1ccc(cc1)C)[NH3].c1ccccc1
• Title of publication: Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
• Authors of publication: Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2231 - 2241
• a: 11.98 ± 0.0002 Å
• b: 25.1657 ± 0.0005 Å
• c: 14.4893 ± 0.0003 Å
• α: 90°
• β: 114.204 ± 0.001°
• γ: 90°
• Cell volume: 3984.3 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No