Information card for entry 7131249

Structure parameters

• Formula: C20.4 H60.8 Cl4.8 Ge4 Si10
• Calculated formula: C20.398 H60.7956 Cl4.802 Ge3.999 Si10.001
• Title of publication: Group IV heteroadamantanes: synthesis of Si₆Sn₄ and site-selective derivatization of Si₆Ge₄.
• Authors of publication: Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 16
• Pages of publication: 2295 - 2298
• a: 25.2179 ± 0.0004 Å
• b: 15.3306 ± 0.0002 Å
• c: 12.6825 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4903.12 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No