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Information card for entry 7040631
Preview
Coordinates | 7040631.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H54 Si2 U |
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Calculated formula | C40 H54 Si2 U |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[U]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C(=C(C(=C9[SiH](C)C)c1ccccc1)c1ccccc1)[SiH](C)C)C)C)C)C |
Title of publication | Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules. |
Authors of publication | Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16441 - 16452 |
a | 10.01 ± 0.007 Å |
b | 11.707 ± 0.011 Å |
c | 17.678 ± 0.012 Å |
α | 82.996 ± 0.017° |
β | 76.372 ± 0.012° |
γ | 65.074 ± 0.011° |
Cell volume | 1825 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1063 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for significantly intense reflections | 0.1675 |
Weighted residual factors for all reflections included in the refinement | 0.1972 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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