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Information card for entry 4301860
Preview
Coordinates | 4301860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H130 Cl8 Co N2 O4 U |
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Calculated formula | C80 H98 Cl4 Co N2 O4 U |
SMILES | c1(cc(cc(c1)C(C)(C)C)C(C)(C)C)[N]1[U]2(=O)(OC(=CC=1c1ccccc1)c1ccccc1)([N](c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C(C=C(O2)c1ccccc1)c1ccccc1)=O.[c]12([c]3([c]4(C)[Co]5678913([c]4([c]25C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C)C.C(Cl)Cl.C(Cl)Cl |
Title of publication | Exploring the Effects of Reduction or Lewis Acid Coordination on the U=O Bond of the Uranyl Moiety |
Authors of publication | Trevor W. Hayton; Guang Wu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 3065 - 3072 |
a | 13.3757 ± 0.0012 Å |
b | 15.88 ± 0.0015 Å |
c | 22.599 ± 0.002 Å |
α | 90° |
β | 92.861 ± 0.003° |
γ | 90° |
Cell volume | 4794.2 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1186 |
Residual factor for significantly intense reflections | 0.08 |
Weighted residual factors for significantly intense reflections | 0.2249 |
Weighted residual factors for all reflections included in the refinement | 0.2428 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/4301860.html
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Users of the data should acknowledge the original authors of the
structural data.