Information card for entry 4114192

Structure parameters

• Common name: (NaSnBert*)~2~^.^3benzene
• Formula: C90 H116 Na2 Sn2
• Calculated formula: C90 H116 Na2 Sn2
• SMILES: c1(c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Sn][Sn]c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.[Na+].[Na+].c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Germanium and Tin Analogues of Alkynes and Their Reduction Products
• Authors of publication: Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11626 - 11636
• a: 16.72 ± 0.004 Å
• b: 16.72 ± 0.004 Å
• c: 29.616 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8279 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No