Information card for entry 4336360

Structure parameters

• Formula: C31 H38 Cr N4 O5 Si
• Calculated formula: C31 H38 Cr N4 O5 Si
• SMILES: [Cr]([Si]12([N](=C(N1C(C)C)c1ccccc1)C(C)C)[N](=C(N2C(C)C)c1ccccc1)C(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Five-Coordinate Silicon(II) Compounds with Si-M Bonds (M = Cr, Mo, W, Fe): Bis[N,N'-diisopropylbenzamidinato(-)]silicon(II) as a Ligand in Transition-Metal Complexes
• Authors of publication: Konstantin Junold; Johannes A. Baus; Christian Burschka; Thomas Vent-Schmidt; Sebastian Riedel; Reinhold Tacke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11593 - 11599
• a: 10.774 ± 0.002 Å
• b: 19.5 ± 0.003 Å
• c: 16.413 ± 0.003 Å
• α: 90°
• β: 107.17 ± 0.02°
• γ: 90°
• Cell volume: 3294.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No