Information card for entry 7106895

Structure parameters

• Formula: C33 H60 Fe N4 Si4
• Calculated formula: C33 H60 Fe N4 Si4
• SMILES: C1(N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)=[Fe](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](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: 16.6461 ± 0.0003 Å
• b: 14.289 ± 0.0003 Å
• c: 16.7741 ± 0.0003 Å
• α: 90°
• β: 99.705 ± 0.002°
• γ: 90°
• Cell volume: 3932.72 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No