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Information card for entry 4106453
Preview
Coordinates | 4106453.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H129 B2 Li O6 |
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Calculated formula | C74 H129 B2 Li O6 |
SMILES | [O]1(C)CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C.c1(c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC)[BH]1[BH](c2c3C(CC(c3cc3C(CC(c23)(CC)CC)(CC)CC)(CC)CC)(CC)CC)[H]1.c1ccccc1 |
Title of publication | Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane |
Authors of publication | Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 11058 - 11061 |
a | 13.328 ± 0.002 Å |
b | 15.242 ± 0.003 Å |
c | 19.666 ± 0.003 Å |
α | 100.058 ± 0.0014° |
β | 96.6371 ± 0.0011° |
γ | 113.4 ± 0.002° |
Cell volume | 3533.7 ± 1 Å3 |
Cell temperature | 100.1 K |
Ambient diffraction temperature | 100.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for all reflections included in the refinement | 0.1326 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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