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Information card for entry 4301729
Preview
Coordinates | 4301729.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H58 N2 O2 P2 Se2 U |
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Calculated formula | C56 H58 N2 O2 P2 Se2 U |
SMILES | c1ccccc1[Se][U]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=NC(C)(C)C)(=NC(C)(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[Se]c1ccccc1 |
Title of publication | Uranium(VI) Bis(imido) Chalcogenate Complexes: Synthesis and Density Functional Theory Analysis |
Authors of publication | Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 2693 - 2700 |
a | 11.918 ± 0.003 Å |
b | 17.077 ± 0.004 Å |
c | 13.308 ± 0.003 Å |
α | 90° |
β | 104.161 ± 0.002° |
γ | 90° |
Cell volume | 2626.2 ± 1.1 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0678 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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