Information card for entry 4066287

Structure parameters

• Formula: C64 H128 Si12 Sn2
• Calculated formula: C64 H128 Si12 Sn2
• SMILES: [Sn@@]12([C@H](C=CC=C1)[Sn]1(C=CC2C=C1)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.[Sn@]12([C@@H](C=CC=C1)[Sn]1(C=CC2C=C1)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Generation of Stannabenzenes and Their Properties†
• Authors of publication: Mizuhata, Yoshiyuki; Noda, Naoya; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4781
• a: 19.6933 ± 0.001 Å
• b: 12.9267 ± 0.0006 Å
• c: 33.0686 ± 0.0019 Å
• α: 90°
• β: 96.509 ± 0.003°
• γ: 90°
• Cell volume: 8364 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.3092
• Residual factor for significantly intense reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.3499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No