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Information card for entry 7050254
Preview
Coordinates | 7050254.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H14 N7 Nd O11 |
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Calculated formula | C21 H14 N7 Nd O11 |
SMILES | [Nd]12345([n]6c(oc7ccccc67)c6[n]1c(ccc6)c1[n]2c2c(cccc2)o1)(ON(=[O]3)=O)(ON(=[O]4)=O)([N]#CC)ON(=O)=[O]5 |
Title of publication | Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands |
Authors of publication | Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2004 |
Journal volume | 28 |
Journal issue | 4 |
Pages of publication | 462 |
a | 9.094 ± 0.013 Å |
b | 9.561 ± 0.013 Å |
c | 15.038 ± 0.017 Å |
α | 98.736 ± 0.01° |
β | 100.343 ± 0.01° |
γ | 93.335 ± 0.01° |
Cell volume | 1266 ± 3 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 | 0.1796 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.2113 |
Weighted residual factors for all reflections included in the refinement | 0.2579 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
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/7050254.html
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Users of the data should acknowledge the original authors of the
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