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Information card for entry 7035808
Preview
Coordinates | 7035808.cif |
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Original paper (by DOI) | HTML |
Formula | C84 H133 N6 O8 Y |
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Calculated formula | C84 H133 N6 O8 Y |
SMILES | [Y]123(Oc4n(nc(c4C(=[O]1)CCCCCCCCCCCCCCCCC)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)CCCCCCCCCCCCCCCCC)C)c1ccccc1)(Oc1n(nc(c1C(=[O]3)CCCCCCCCCCCCCCCCC)C)c1ccccc1)([OH2])[OH2] |
Title of publication | Synthesis of novel lanthanide acylpyrazolonato ligands with long aliphatic chains and immobilization of the Tb complex on the surface of silica pre-modified via hydrophobic interactions. |
Authors of publication | Pettinari, C.; Marchetti, F.; Pettinari, R.; Belousov, Y. A.; Taydakov, I. V.; Krasnobrov, V. D.; Petukhov, D. I.; Drozdov, A. A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 33 |
Pages of publication | 14887 - 14895 |
a | 15.101 ± 0.003 Å |
b | 15.292 ± 0.003 Å |
c | 20.498 ± 0.004 Å |
α | 84.792 ± 0.003° |
β | 74.088 ± 0.003° |
γ | 65.143 ± 0.003° |
Cell volume | 4128.8 ± 1.4 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 | 0.1063 |
Residual factor for significantly intense reflections | 0.0688 |
Weighted residual factors for significantly intense reflections | 0.1787 |
Weighted residual factors for all reflections included in the refinement | 0.1988 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/7035808.html
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Users of the data should acknowledge the original authors of the
structural data.