Information card for entry 4112291

Structure parameters

• Formula: C46 H70 Si Sn
• Calculated formula: C46 H70 Si Sn
• SMILES: [Sn]1c2c(cccc2c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)[C@@H](C[C@@H]1[Si](C(C)C)(C(C)C)C(C)C)C.[Sn]1c2c(cccc2c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)[C@H](C[C@H]1[Si](C(C)C)(C(C)C)C(C)C)C
• Title of publication: Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode
• Authors of publication: Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2696 - 2697
• a: 16.407 ± 0.004 Å
• b: 21.904 ± 0.005 Å
• c: 24.092 ± 0.005 Å
• α: 90°
• β: 106.357 ± 0.004°
• γ: 90°
• Cell volume: 8308 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No