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Information card for entry 7042610
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Coordinates | 7042610.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound1a_TMEDA |
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Chemical name | Lithium Methoxytris(dimethylphenylsilyl)borate |
Formula | C31 H52 B Li N2 O Si3 |
Calculated formula | C31 H52 B Li N2 O Si3 |
SMILES | [Si](c1ccccc1)(C)(C)[B]([Si](C)(c1ccccc1)C)([Si](C)(C)c1ccccc1)[O](C)[Li]1[N](C)(C)CC[N]1(C)C |
Title of publication | Synthesis and structures of lithium alkoxytris(dimethylphenylsilyl)borates |
Authors of publication | Tsurusaki, Akihiro; Yoshida, Keisuke; Kyushin, Soichiro |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 12.5945 ± 0.0017 Å |
b | 13.796 ± 0.002 Å |
c | 19.569 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3400.2 ± 0.9 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0507 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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