Information card for entry 4336873

Structure parameters

• Formula: C30 H52 Fe N2 Si2
• Calculated formula: C30 H52 Fe N2 Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N([Fe]N(c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies
• Authors of publication: Chun-Yi Lin; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Fernande Grandjean; Gary J. Long; Nicholas F. Chilton; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13584 - 13593
• a: 8.8101 ± 0.0005 Å
• b: 9.1759 ± 0.0005 Å
• c: 11.1624 ± 0.0006 Å
• α: 102.467 ± 0.001°
• β: 92.503 ± 0.001°
• γ: 113.932 ± 0.001°
• Cell volume: 796.59 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes