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Information card for entry 7205292
Preview
Coordinates | 7205292.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H48 N6 Ni2 O18 U |
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Calculated formula | C40 H48 N6 Ni2 O18 U |
SMILES | C(Oc1c2c(C=[N]3[Ni]4([N](=Cc5c(c(OCC)ccc5)O4)CC3)O2)ccc1)C.N1(=[O][U]2(O1)(=O)([OH2])(ON(=O)=[O]2)(=O)[OH2])=O.CCOc1c2c(C=[N]3CC[N]4=Cc5cccc(c5O[Ni]34O2)OCC)ccc1 |
Title of publication | Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies |
Authors of publication | Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 1029 |
a | 13.8255 ± 0.0008 Å |
b | 6.7309 ± 0.0004 Å |
c | 23.8617 ± 0.0015 Å |
α | 90° |
β | 99.269 ± 0.001° |
γ | 90° |
Cell volume | 2191.5 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0413 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0621 |
Weighted residual factors for all reflections included in the refinement | 0.0663 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205292.html
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Users of the data should acknowledge the original authors of the
structural data.