Information card for entry 8000038

Structure parameters

• Common name: 9-Sn_phen_dimer
• Formula: C86 H142 Si12 Sn2
• Calculated formula: C86 H142 Si12 Sn2
• SMILES: [Sn]23(C([Sn]4(C2c1c(c2c4cccc2)cccc1)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(c2c3cccc2)cccc1)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.c1ccccc1
• Title of publication: Generation of 9-Stannaphenanthrene and Its Reactivities
• Authors of publication: Yoshiyuki Mizuhata; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1088
• a: 12.8898 ± 0.0002 Å
• b: 17.9414 ± 0.0003 Å
• c: 22.3902 ± 0.0005 Å
• α: 81.1212 ± 0.0008°
• β: 82.9007 ± 0.0009°
• γ: 72.8807 ± 0.0016°
• Cell volume: 4872.49 ± 0.16 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No