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Information card for entry 4101761
Preview
Coordinates | 4101761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H31 B11 Ru |
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Calculated formula | C14 H31 B11 Ru |
SMILES | [Ru]123456789%10([C]%11%12%13(C)[BH]%14%151[BH]1%162[BH]2%173[BH]3%184[BH]45%11[BH]5%11%18[BH]%18%173[BH]3%162[C]%1512([BH]1%12%14[BH]%1345[BH]%11%18312)C)[c]1([cH]6[cH]7[c]8([cH]9[cH]%101)C(C)C)C |
Title of publication | Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane. |
Authors of publication | Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Journal issue | 1 |
Pages of publication | 18 - 19 |
a | 9.9962 ± 0.0013 Å |
b | 12.7008 ± 0.0016 Å |
c | 16.033 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2035.5 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0306 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0605 |
Weighted residual factors for all reflections included in the refinement | 0.0632 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4101761.html
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