Information card for entry 4326786

Structure parameters

• Formula: C50 H40 P4 S4 Sn
• Calculated formula: C50 H40 P4 S4 Sn
• SMILES: P1(c2ccccc2)(=C([Sn]2(C(P(=S)(c3ccccc3)c3ccccc3)=P(S2)(c2ccccc2)c2ccccc2)S1)P(=S)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Structural Characterization of a Tin Analogue of Allene
• Authors of publication: Wing-Por Leung; Yuk-Chi Chan; Thomas C. W. Mak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10517 - 10518
• a: 22.2299 ± 0.0009 Å
• b: 11.6422 ± 0.0005 Å
• c: 18.1168 ± 0.0007 Å
• α: 90°
• β: 96.019 ± 0.001°
• γ: 90°
• Cell volume: 4662.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No