Information card for entry 4123331

Structure parameters

• Formula: C38 H58 Cl2 N P Si
• Calculated formula: C38 H58 Cl2 N P Si
• SMILES: Cl[Si](Cl)(=Pc1c(cc(cc1C(C)C)C(C)C)C(C)C)=C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.
• Authors of publication: Roy, Sudipta; Stollberg, Peter; 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: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 150 - 153
• a: 17.079 ± 0.002 Å
• b: 18.335 ± 0.002 Å
• c: 24.196 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7576.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No