Information card for entry 4101581

Structure parameters

• Chemical name: {[4-Me3Si-2,6-(2,6-iPr2-C6H3)2-C6H2]Sn}2
• Formula: C70 H100 O Si2 Sn2
• Calculated formula: C70 H100 O Si2 Sn2
• Title of publication: Very large changes in bond length and bond angle in a heavy group 14 element alkyne analogue by modification of a remote ligand substituent.
• Authors of publication: Fischer, Roland C; Pu, Lihung; Fettinger, James C; Brynda, Marcin A; Power, Philip P
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 35
• Pages of publication: 11366 - 11367
• a: 11.605 ± 0.003 Å
• b: 24.573 ± 0.005 Å
• c: 12.733 ± 0.003 Å
• α: 90°
• β: 114.407 ± 0.004°
• γ: 90°
• Cell volume: 3306.5 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No