Information card for entry 4135397

Structure parameters

• Formula: C60 H101 B Li2 O2 Si2
• Calculated formula: C60 H101 B Li2 O2 Si2
• Title of publication: A Neutral Silicon(II) Half-Sandwich Compound.
• Authors of publication: Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 51
• Pages of publication: 21304 - 21309
• a: 10.6412 ± 0.0019 Å
• b: 13.78 ± 0.003 Å
• c: 21.703 ± 0.004 Å
• α: 73.982 ± 0.003°
• β: 80.257 ± 0.003°
• γ: 88.739 ± 0.003°
• Cell volume: 3013.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No