Information card for entry 4326126

Structure parameters

• Formula: C31 H36 Cl2 Fe N2 O4 Si
• Calculated formula: C31 H36 Cl2 Fe N2 O4 Si
• SMILES: [Fe]([Si](Cl)(Cl)c1n(c2c(C(C)C)cccc2C(C)C)cc[n+]1c1c(C(C)C)cccc1C(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: N-Heterocyclic Carbene Stabilized Dichlorosilylene Transition-Metal Complexes of V(I), Co(I), and Fe(0)
• Authors of publication: Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Pröpper; Julian J. Holstein; Birger Dittrich; Herbert W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8502 - 8508
• a: 33.7046 ± 0.0011 Å
• b: 38.9594 ± 0.0013 Å
• c: 10.2939 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13517 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No