Information card for entry 7103609

Structure parameters

• Common name: stannylstannylene
• Formula: C98 H134 Si2 Sn2
• Calculated formula: C98 H134 Si2 Sn2
• SMILES: [Sn]12[Sn]3([CH]4C(=CC(=C(c5c1c(ccc5)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[C]2([Si](C)(C)C)=C4C(C)C)C(C)C)C(C)C)c1c(cccc1C12C(=C(C=C(C1C32C(C)C)C(C)C)C(C)C)[Si](C)(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Formation of a stannylstannylene via intramolecular carbene addition of a transient stannaacetylene (RSn[triple bond, length as m-dash]CR').
• Authors of publication: Setaka, Wataru; Hirai, Katsuyuki; Tomioka, Hideo; Sakamoto, Kenkichi; Kira, Mitsuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 6558 - 6560
• a: 12.628 ± 0.002 Å
• b: 41.255 ± 0.007 Å
• c: 17.126 ± 0.003 Å
• α: 90°
• β: 95.001 ± 0.004°
• γ: 90°
• Cell volume: 8888 ± 3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• 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: 0.241
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No