Information card for entry 7106894

Structure parameters

• Formula: C39 H72 Fe N4 Si4
• Calculated formula: C39 H72 Fe N4 Si4
• SMILES: [Fe](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Structure and bonding in three-coordinate N-heterocyclic carbene adducts of iron(II) bis(trimethylsilyl)amide
• Authors of publication: Richard A. Layfield; Joseph J. W. McDouall; Manfred Scheer; Christoph Schwarzmaier; Floriana Tuna
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10623 - 10625
• a: 10.851 ± 0.0008 Å
• b: 11.3172 ± 0.0008 Å
• c: 22.8051 ± 0.0013 Å
• α: 76.43 ± 0.006°
• β: 80.054 ± 0.005°
• γ: 66.93 ± 0.007°
• Cell volume: 2494.4 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0365
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No