Information card for entry 4112097

Structure parameters

• Formula: C96 H104 Ge2 O
• Calculated formula: C96 H104 Ge2 O
• Title of publication: Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds
• Authors of publication: Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17530 - 17541
• a: 13.7999 ± 0.0008 Å
• b: 15.1927 ± 0.0009 Å
• c: 20.3401 ± 0.0012 Å
• α: 87.368 ± 0.001°
• β: 79.496 ± 0.001°
• γ: 66.618 ± 0.001°
• Cell volume: 3847 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No