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Information card for entry 4101760
Preview
Coordinates | 4101760.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H17 B11 |
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Calculated formula | C4 H17 B11 |
SMILES | [BH]123[BH]456[BH]789[BH]%10%114[BH]4%127[BH]7%13%10[BH]25%11[BH]237[BH]351[BH]84([BH]%12%1323)[C]5([C]69C)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 | 7.0551 ± 0.0009 Å |
b | 11.6875 ± 0.0014 Å |
c | 8.0262 ± 0.001 Å |
α | 90° |
β | 115.576 ± 0.002° |
γ | 90° |
Cell volume | 596.96 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0904 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.2121 |
Weighted residual factors for all reflections included in the refinement | 0.2415 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/4101760.html
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