Information card for entry 4318277

Structure parameters

• Common name: NacNacFeN(SiMe3)2
• Formula: C35 H59 Fe N3 Si2
• Calculated formula: C35 H59 Fe N3 Si2
• SMILES: [Fe]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Characterization of Three-Coordinate and Related β-Diketiminate Derivatives of Manganese, Iron, and Cobalt
• Authors of publication: Arunashree Panda; Matthias Stender; Robert J. Wright; Marilyn M. Olmstead; Peter Klavins; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3909 - 3916
• a: 9.0729 ± 0.0005 Å
• b: 20.186 ± 0.001 Å
• c: 20.215 ± 0.001 Å
• α: 90°
• β: 90.503 ± 0.001°
• γ: 90°
• Cell volume: 3702.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No