Information card for entry 4120065

Structure parameters

• Formula: C108 H147 Ge1.5 S3
• Calculated formula: C108 H147 Ge1.5 S3
• Title of publication: Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles
• Authors of publication: Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10134 - 10148
• a: 26.261 ± 0.008 Å
• b: 18.385 ± 0.005 Å
• c: 41.86 ± 0.015 Å
• α: 90°
• β: 106.844 ± 0.004°
• γ: 90°
• Cell volume: 19343 ± 11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2039
• Residual factor for significantly intense reflections: 0.1622
• Weighted residual factors for significantly intense reflections: 0.3875
• Weighted residual factors for all reflections included in the refinement: 0.4228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes