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Information card for entry 7015418
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Coordinates | 7015418.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [UO2(salmnt(Et2N)2)(py)] |
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Formula | C31 H33 N7 O4 U |
Calculated formula | C31 H33 N7 O4 U |
SMILES | [U]123([N](C(=C([N]3=Cc3c(cc(N(CC)CC)cc3)O2)C#N)C#N)=Cc2ccc(N(CC)CC)cc2O1)([n]1ccccc1)(=O)=O |
Title of publication | Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand. |
Authors of publication | Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 22 |
Pages of publication | 5939 - 5952 |
a | 10.002 ± 0.005 Å |
b | 13.122 ± 0.005 Å |
c | 13.456 ± 0.005 Å |
α | 111.483 ± 0.005° |
β | 91.195 ± 0.005° |
γ | 105.695 ± 0.005° |
Cell volume | 1567.8 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0686 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1443 |
Weighted residual factors for all reflections included in the refinement | 0.1492 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/7015418.html
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