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Information card for entry 2012409
Preview
Coordinates | 2012409.cif |
---|---|
Original IUCr paper | HTML |
Formula | C36 H52 Cl2 N2 O4 U2 |
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Calculated formula | C36 H52 Cl2 N2 O4 U2 |
SMILES | [U]1(Cl)([O](CC)CC)([c]23C)([c]24C)([c]32C)([c]23C)([c]34c2[n]1cccc2)(O1)O[U]12(Cl)([O](CC)CC)([c]13C)([c]14C)([c]31C)([c]13C)[c]34c1[n]2cccc1 |
Title of publication | A dinuclear uranium(IV) complex of the chelating ligand 1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadiene |
Authors of publication | Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 1 |
Pages of publication | m8 - m9 |
a | 11.6695 ± 0.0008 Å |
b | 18.2129 ± 0.0012 Å |
c | 19.194 ± 0.0013 Å |
α | 90° |
β | 106.42 ± 0.004° |
γ | 90° |
Cell volume | 3913 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.29 |
Residual factor for significantly intense reflections | 0.0866 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.184 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
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/2012409.html
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Users of the data should acknowledge the original authors of the
structural data.