Information card for entry 7131247

Structure parameters

• Formula: C21.72 H65.15 Cl2.28 Ge4.86 Si9.14
• Calculated formula: C21.718 H67.148 Cl2.282 Ge4.859 Si9.141
• 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: 17.1568 ± 0.0011 Å
• b: 18.8562 ± 0.001 Å
• c: 15.1154 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4890 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No