Information card for entry 7706537

Structure parameters

• Formula: C40 H108 Ge6 Se10 Si12
• Calculated formula: C40 H108 Ge6 Se10 Si12
• 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: 17.9129 ± 0.0014 Å
• b: 20.5298 ± 0.0017 Å
• c: 13.922 ± 0.0011 Å
• α: 90°
• β: 100.402 ± 0.002°
• γ: 90°
• Cell volume: 5035.6 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No