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Information card for entry 4105736
Preview
Coordinates | 4105736.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H108 N4 O4 Si4 U2 |
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Calculated formula | C66 H108 N4 O4 Si4 U2 |
SMILES | [c]12([c]3([c]4([c]5(C61[U]1782345(N(C2=C(O1)C1=C(C)C(=C([C@@]1(C)[Si](C2)(C)C)C)C)C(C)C)[O]1C(=[N](C(C)C)[U]231459%10([c]1([c]4([c]5([c]9([c]1%10C)C)C)C)[Si](C)(C)CC(=[N]7C(C)C)[O]82)N(C1=C(O3)C2=C(C(=C([C@@]2(C)[Si](C1)(C)C)C)C)C)C(C)C)C[Si]6(C)C)C)C)C)C.[c]12([c]3([c]4([c]5(C61[U]1782345(N(C2=C(O1)C1=C(C)C(=C([C@]1(C)[Si](C2)(C)C)C)C)C(C)C)[O]1C(=[N](C(C)C)[U]231459%10([c]1([c]4([c]5([c]9([c]1%10C)C)C)C)[Si](C)(C)CC(=[N]7C(C)C)[O]82)N(C1=C(O3)C2=C(C(=C([C@]2(C)[Si](C1)(C)C)C)C)C)C(C)C)C[Si]6(C)C)C)C)C)C |
Title of publication | Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U |
Authors of publication | Nathan A. Siladke; Joseph W. Ziller; William J. Evans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 3507 - 3516 |
a | 14.9569 ± 0.0009 Å |
b | 19.1828 ± 0.0011 Å |
c | 24.774 ± 0.0015 Å |
α | 90° |
β | 95.2545 ± 0.0007° |
γ | 90° |
Cell volume | 7078.2 ± 0.7 Å3 |
Cell temperature | 148 ± 2 K |
Ambient diffraction temperature | 148 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0201 |
Residual factor for significantly intense reflections | 0.0175 |
Weighted residual factors for significantly intense reflections | 0.0434 |
Weighted residual factors for all reflections included in the refinement | 0.0444 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4105736.html
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