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Information card for entry 7019789
Preview
Coordinates | 7019789.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H26 N6 |
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Calculated formula | C26 H26 N6 |
SMILES | n1ccccc1c1nc(ccc1)c1nc(ccc1)c1nc2c(nn1)C(CCC2(C)C)(C)C |
Title of publication | Complexation of lanthanides, actinides and transition metal cations with a 6-(1,2,4-triazin-3-yl)-2,2':6',2''-terpyridine ligand: implications for actinide(iii)/lanthanide(iii) partitioning. |
Authors of publication | Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G. B.; Sypula, Michal; Modolo, Giuseppe; Whittaker, Daniel; Sharrad, Clint A.; Videva, Vladimira; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 30 |
Pages of publication | 9209 - 9219 |
a | 8.5515 ± 0.0011 Å |
b | 8.574 ± 0.0011 Å |
c | 16.214 ± 0.002 Å |
α | 81.677 ± 0.011° |
β | 85.06 ± 0.011° |
γ | 66.015 ± 0.012° |
Cell volume | 1074.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.13 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1063 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.802 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7019789.html
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Users of the data should acknowledge the original authors of the
structural data.