Information card for entry 4313144

Structure parameters

• Common name: [Li(TMEDA)2]{FeCl2[N(TMS)2]2}
• Formula: C24 H68 Cl2 Fe Li N6 Si4
• Calculated formula: C24 H68 Cl2 Fe Li N6 Si4
• SMILES: [Fe](Cl)(Cl)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[Li]12([N](C)(C)CC[N]1(C)C)[N](C)(C)CC[N]2(C)C
• Title of publication: Iron-Arylimide Clusters [Fem(NAr)nCl4]2- (m,n= 2, 2; 3, 4; 4, 4) from a Ferric Amide Precursor: Synthesis, Characterization, and Comparison to Fe-S Chemistry
• Authors of publication: Jeremiah S. Duncan; Tamim M. Nazif; Atul K. Verma; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1211 - 1224
• a: 19.2815 ± 0.0004 Å
• b: 22.4243 ± 0.0004 Å
• c: 19.525 Å
• α: 90°
• β: 96.79 ± 0.0008°
• γ: 90°
• Cell volume: 8382.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1433
• Weighted residual factors for significantly intense reflections: 0.1225
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No