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Information card for entry 7040629
Preview
Coordinates | 7040629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H58 Si2 U |
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Calculated formula | C42 H58 Si2 U |
SMILES | [U]123456789([c]%10([c]2(C)[c]3([c]4([c]5%10C)C)C)C)([c]2([c]6(C)[c]7([c]8([c]92C)C)C)C)C(=C(c2ccccc2)C(=C1[Si](C)(C)C)c1ccccc1)[Si](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 | 20.461 ± 0.013 Å |
b | 12.778 ± 0.009 Å |
c | 15.797 ± 0.014 Å |
α | 90° |
β | 108.451 ± 0.014° |
γ | 90° |
Cell volume | 3918 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0677 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1268 |
Weighted residual factors for all reflections included in the refinement | 0.1327 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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