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Information card for entry 7006493
Preview
Coordinates | 7006493.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H29 Er N12 O9 |
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Calculated formula | C26 H29 Er N12 O9 |
SMILES | [Er]123456([n]7nc(c(nc7c7[n]1c(ccc7)c1[n]3c(c3[n]2nc(c(n3)CC)CC)ccc1)CC)CC)([O]=N(=O)O4)([O]=N(=O)O5)ON(=[O]6)=O.N#CC |
Title of publication | Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III). |
Authors of publication | Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 13 |
Pages of publication | 1645 - 1653 |
a | 10.054 ± 0.014 Å |
b | 10.202 ± 0.014 Å |
c | 16.868 ± 0.018 Å |
α | 92.503 ± 0.01° |
β | 94.855 ± 0.01° |
γ | 106.749 ± 0.01° |
Cell volume | 1647 ± 4 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 | 0.0812 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections | 0.2021 |
Weighted residual factors for significantly intense reflections | 0.1988 |
Goodness-of-fit parameter for all reflections | 1.169 |
Goodness-of-fit parameter for significantly intense reflections | 1.195 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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