Information card for entry 4083797

Structure parameters

• Common name: 9-germaanthracene_dimer
• Formula: C100 H168 Ge2 Si14
• Calculated formula: C100 H168 Ge2 Si14
• SMILES: c1(c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Ge]12c3ccccc3C(c3ccccc23)[Ge]2(c3ccccc3C1c1ccccc21)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene
• Authors of publication: Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3533
• a: 16.9585 ± 0.0011 Å
• b: 16.6614 ± 0.001 Å
• c: 20.4281 ± 0.0015 Å
• α: 90°
• β: 112.585 ± 0.002°
• γ: 90°
• Cell volume: 5329.4 ± 0.6 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: 0.0446
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No