Information card for entry 1571338

Structure parameters

• Formula: C54 H56 O2 Si4 Sn
• Calculated formula: C54 H56 O2 Si4 Sn
• SMILES: [Sn](O)(O)(C([Si](C)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1)C([Si](C)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
• Title of publication: A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
• Authors of publication: Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 7072 - 7078
• a: 11.2316 ± 0.0003 Å
• b: 12.9893 ± 0.0004 Å
• c: 17.563 ± 0.0005 Å
• α: 70.964 ± 0.003°
• β: 75.647 ± 0.003°
• γ: 84.203 ± 0.003°
• Cell volume: 2345.98 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No