Information card for entry 4086588

Structure parameters

• Formula: C56 H36 Ge2 O4
• Calculated formula: C56 H36 Ge2 O4
• SMILES: c12ccccc1c1c(C34Oc5ccccc5C3([Ge]1(c1ccccc1)c1ccccc1)C13c5c(c6c(cccc6)o5)[Ge](C43c3c(O1)cccc3)(c1ccccc1)c1ccccc1)o2
• Title of publication: Synthesis and Properties of Benzofuran-Fused Silole and Germole Derivatives: Reversible Dimerization and Crystal Structures of Monomers and Dimers
• Authors of publication: Zhang, Fei-Bao; Adachi, Yohei; Ooyama, Yousuke; Ohshita, Joji
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2327
• a: 9.7837 ± 0.0015 Å
• b: 10.8094 ± 0.0016 Å
• c: 10.8576 ± 0.0016 Å
• α: 98.3 ± 0.002°
• β: 106.103 ± 0.002°
• γ: 99.866 ± 0.002°
• Cell volume: 1064.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0231
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No