Information card for entry 4105673

Structure parameters

• Formula: C81.5 H219.5 Ge14 Li3 O7 Si25
• Calculated formula: C81.48 H219.57 Ge14 Li3 O6.99 Si25
• Title of publication: The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 Cluster
• Authors of publication: Christian Schenk; Andreas Kracke; Karin Fink; Adam Kubas; Wim Klopper; Marco Neumaier; Hansgeorg Schnöckel; Andreas Schnepf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2518 - 2524
• a: 20.1775 ± 0.0006 Å
• b: 20.1775 ± 0.0006 Å
• c: 21.9148 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7726.9 ± 0.4 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No