Information card for entry 4130837

Structure parameters

• Formula: C40 H64 N2 Si2
• Calculated formula: C40 H64 N2 Si2
• SMILES: C1(C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)=[SiH][SiH]=C1C(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds.
• Authors of publication: Mohapatra, Chandrajeet; Kundu, Subrata; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 33
• Pages of publication: 10429 - 10432
• a: 9.229 ± 0.002 Å
• b: 10.253 ± 0.003 Å
• c: 11.671 ± 0.003 Å
• α: 89.69 ± 0.02°
• β: 77.64 ± 0.02°
• γ: 64.1 ± 0.03°
• Cell volume: 965.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No