Information card for entry 4318312

Structure parameters

• Formula: C44 H102 Fe2 Li4 N6 O2 Si4
• Calculated formula: C44 H102 Fe2 Li4 N6 O2 Si4
• SMILES: [Fe]123[N]4(C(C)C)C(=[N](C(C)C)[Li]5[N]6([Fe]7([N]([Li]([O]8CCCC8)[CH2]7[Si](C)(C)C)(C(C)C)C6=[N](C(C)C)[Li]4([CH2]3[Si](C)(C)C))[CH2]5[Si](C)(C)C)C(C)C)[N]1([Li]([O]1CCCC1)[CH2]2[Si](C)(C)C)C(C)C
• Title of publication: Synthesis and Characterization of Iron Complexes with Monoanionic and Dianionic N,N',N''-Trialkylguanidinate Ligands
• Authors of publication: Stephen R. Foley; Glenn P. A. Yap; Darrin S. Richeson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4149 - 4157
• a: 16.41 ± 0.009 Å
• b: 11.398 ± 0.006 Å
• c: 17.38 ± 0.009 Å
• α: 90°
• β: 107.013 ± 0.007°
• γ: 90°
• Cell volume: 3109 ± 3 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 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: 0.083
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No