Information card for entry 7706538

Structure parameters

• Formula: C56 H142 Ge6 Li2 O4 Si12 Te8
• Calculated formula: C56 H142 Ge6 Li2 O4 Si12 Te8
• Title of publication: LiEC(SiMe₃)₃ (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R_<i>x</i>Ge_<i>y</i>)E_<i>z</i>] cage compounds with unique structural features.
• Authors of publication: Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2663 - 2670
• a: 9.4374 ± 0.0012 Å
• b: 21.327 ± 0.003 Å
• c: 25.337 ± 0.003 Å
• α: 90°
• β: 99.818 ± 0.004°
• γ: 90°
• Cell volume: 5024.9 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No