Information card for entry 4126613

Structure parameters

• Formula: C83 H86 Cl2 Fe N4
• Calculated formula: C83 H86 Cl2 Fe N4
• Title of publication: A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.
• Authors of publication: Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.9645 ± 0.0005 Å
• b: 27.5284 ± 0.0011 Å
• c: 22.0629 ± 0.0009 Å
• α: 90°
• β: 101.085 ± 0.001°
• γ: 90°
• Cell volume: 7131.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No