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Information card for entry 4320952
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Coordinates | 4320952.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 99247 |
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Chemical name | 1,10-Bis(TMS-acetylene)-1,10-Dicarba-closo-decaborane |
Formula | C14 H26 B8 Si2 |
Calculated formula | C12 H26 B8 Si2 |
SMILES | [Si](C#C[C]123[BH]456[BH]789[BH]%1014[BH]147[BH]72%10[BH]2%101[BH]357[BH]682[C]94%10C#C[Si](C)(C)C)(C)(C)C |
Title of publication | 10-Vertexcloso-Boranes as Potential π Linkers for Electronic Materials |
Authors of publication | Serhii Pakhomov; Piotr Kaszynski; Victor G. Young |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 2243 - 2245 |
a | 9.5189 ± 0.0004 Å |
b | 10.6148 ± 0.0005 Å |
c | 12.0415 ± 0.0005 Å |
α | 68.071 ± 0.001° |
β | 72.51 ± 0.001° |
γ | 72.378 ± 0.001° |
Cell volume | 1051.23 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0689 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for all reflections | 0.1343 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Goodness-of-fit parameter for all reflections | 1.056 |
Goodness-of-fit parameter for significantly intense reflections | 1.14 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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