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Information card for entry 7017055
Preview
Coordinates | 7017055.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H50 N5 O18 Tb |
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Calculated formula | C26 H33 N5 O18 Tb |
SMILES | [Tb]1234567([OH2])OC(=O)C[N]84CC[N]5(CC(=O)O1)CC[N]6(CC(=O)O2)CC[N]7(CC8)C/C(=N/c1cc(cc(c1)C(=O)OC)C(=O)OC)O3.O.O.O.O.O.O |
Title of publication | Lanthanide complexes of DOTA monoamide derivatives bearing an isophthalate pendent arm. |
Authors of publication | Shiells, Emma J.; Natrajan, Louise S.; Sykes, Daniel; Tropiano, Manuel; Cooper, Paul; Kenwright, Alan M.; Faulkner, Stephen |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 43 |
Pages of publication | 11451 - 11457 |
a | 9.9372 ± 0.0004 Å |
b | 17.2053 ± 0.0006 Å |
c | 20.881 ± 0.0008 Å |
α | 102.23 ± 0.001° |
β | 92.133 ± 0.001° |
γ | 102.137 ± 0.001° |
Cell volume | 3398.6 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0646 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
Diffraction radiation wavelength | 0.6813 Å |
Diffraction radiation type | Synchrotron |
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/7017055.html
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Users of the data should acknowledge the original authors of the
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