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Information card for entry 7007824
Preview
Coordinates | 7007824.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H28 Au B10 P Se |
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Calculated formula | C21 H28 Au B10 P Se |
SMILES | [Au]([Se][C]1234[C]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds. |
Authors of publication | Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 44 |
Pages of publication | 5240 - 5247 |
a | 7.9337 ± 0.0001 Å |
b | 18.806 ± 0.0004 Å |
c | 17.7509 ± 0.0004 Å |
α | 90° |
β | 91.4646 ± 0.0007° |
γ | 90° |
Cell volume | 2647.59 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0401 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.0672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mokα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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