Information card for entry 4331174

Structure parameters

• Common name: Fe2(mu-NHtBu)[N(TMS)2]2
• Formula: C20 H56 Fe2 N4 Si4
• Calculated formula: C20 H56 Fe2 N4 Si4
• Title of publication: Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor
• Authors of publication: Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12891 - 12904
• a: 11.7818 ± 0.0007 Å
• b: 9.5043 ± 0.0006 Å
• c: 15.9211 ± 0.0008 Å
• α: 90°
• β: 102.368 ± 0.003°
• γ: 90°
• Cell volume: 1741.43 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections: 0.1405
• Weighted residual factors for significantly intense reflections: 0.1238
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No