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Information card for entry 4080272
Preview
Coordinates | 4080272.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H84 I N3 U |
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Calculated formula | C59 H84 I N3 U |
SMILES | [U](N(c1cc(cc(c1)C)C)C12CC3CC(C2)CC(C1)C3)(I)(N(c1cc(cc(c1)C)C)C12CC3CC(C2)CC(C1)C3)N(c1cc(cc(c1)C)C)C12CC3CC(C2)CC(C1)C3.C(CCC)C |
Title of publication | Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes |
Authors of publication | Vlaisavljevich, Bess; Diaconescu, Paula L.; Lukens, Wayne L.; Gagliardi, Laura; Cummins, Christopher C. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 5 |
Pages of publication | 1341 |
a | 11.0165 ± 0.0002 Å |
b | 12.4826 ± 0.0003 Å |
c | 22.6984 ± 0.0006 Å |
α | 79.215 ± 0.001° |
β | 78.35° |
γ | 64.907 ± 0.001° |
Cell volume | 2750.35 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0364 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0828 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080272.html
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Users of the data should acknowledge the original authors of the
structural data.