Information card for entry 4114174

Structure parameters

• Chemical name: 2-Phenyl-1,4,5-tris(tri-tert-butylsilyl)-1,4,5-trigermabicyclo [2.1.0]pent-2-en-5-ylium tetrakis(pentafluorophenyl)borate
• Formula: C68 H87 B F20 Ge3 Si3
• Calculated formula: C68 H87 B F20 Ge3 Si3
• SMILES: [Ge]12([Ge]3([Ge]41([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C]2(=[CH]34)c1ccccc1)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: 1,4,5-Trigermabicyclo[2.1.0]pent-2-en-5-ylium: The Isolable Bishomocyclopropenylium Ion Containing a Heavier Group 14 Element
• Authors of publication: Yutaka Ishida; Akira Sekiguchi; Yoshio Kabe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11468 - 11469
• a: 14.21 ± 0.0009 Å
• b: 14.417 ± 0.0011 Å
• c: 36.219 ± 0.002 Å
• α: 88.679 ± 0.004°
• β: 83.103 ± 0.004°
• γ: 90.055 ± 0.004°
• Cell volume: 7364.3 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1465
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No