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Information card for entry 4305459
Preview
Coordinates | 4305459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H82 F3 N21 O15 S U2 |
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Calculated formula | C69 H82 F3 N21 O15 S U2 |
SMILES | [U]123456(O[U]789(=O)(=O)(ON(=[O]7)=O)(ON(=[O]8)=O)O=N(O9)=O)([n]7nc8c(nc7c7[n]1c(ccc7)c1[n]2c(ccc1)c1[n]3nc2c(n1)C(CCC2(C)C)(C)C)C(CCC8(C)C)(C)C)[n]1nc2c(nc1c1[n]4c(ccc1)c1[n]5c(ccc1)c1[n]6nc3c(n1)C(CCC3(C)C)(C)C)C(CCC2(C)C)(C)C.S(=O)(=O)([O-])C(F)(F)F.N#CC.N#CC |
Title of publication | Sterically Congested Uranyl Complexes with Seven-Coordination of the UO2 Unit: the Peculiar Ligation Mode of Nitrate in [UO2(NO3)2(Rbtp)] Complexes |
Authors of publication | Jean-Claude Berthet; Pierre Thuéry; Jean-Pierre Dognon; Denis Guillaneux; Michel Ephritikhine |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 6850 - 6862 |
a | 16.6734 ± 0.0008 Å |
b | 29.3252 ± 0.0017 Å |
c | 18.0981 ± 0.0008 Å |
α | 90° |
β | 116.311 ± 0.003° |
γ | 90° |
Cell volume | 7932.3 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0991 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/4305459.html
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