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Information card for entry 4342862
Preview
Coordinates | 4342862.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H32 N7 O9 Tl |
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Calculated formula | C17 H32 N7 O9 Tl |
SMILES | C(=[NH2+])(N)N.C1C[N]23CC[N]45CC[N]67CC(=O)O[Tl]8357([N]1(CC6)CC(=O)O8)(OC(=O)C2)OC(=O)C4.O |
Title of publication | [Tl(III)(dota)](-): An Extraordinarily Robust Macrocyclic Complex. |
Authors of publication | Fodor, Tamás; Bányai, István; Bényei, Attila; Platas-Iglesias, Carlos; Purgel, Mihály; Horváth, Gábor L; Zékány, László; Tircsó, Gyula; Tóth, Imre |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 11 |
Pages of publication | 5426 - 5437 |
a | 7.498 ± 0.01 Å |
b | 12.406 ± 0.005 Å |
c | 12.8 ± 0.004 Å |
α | 91.01 ± 0.01° |
β | 90.86 ± 0.04° |
γ | 107.31 ± 0.06° |
Cell volume | 1136.3 ± 1.7 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 | 0.0624 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for all reflections included in the refinement | 0.1557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/4342862.html
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