Information card for entry 4077701

Structure parameters

• Formula: C54 H56 F9 K3 Si2
• Calculated formula: C54 H56 F9 K3 Si2
• SMILES: [K+].[K+].[K+].[Si](F)(F)(F)(F)(F)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Si](F)(F)(F)(F)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1
• Title of publication: Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne
• Authors of publication: Pietschnig, Rudolf; West, Robert; Powell, Douglas R.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 2724
• a: 13.7295 ± 0.001 Å
• b: 26.639 ± 0.002 Å
• c: 29.299 ± 0.002 Å
• α: 90°
• β: 97.287 ± 0.003°
• γ: 90°
• Cell volume: 10629.3 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No