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Information card for entry 2018406
Preview
Coordinates | 2018406.cif |
---|---|
Structure factors | 2018406.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5- diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate |
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Formula | C17 H21 N3 O7 U |
Calculated formula | C17 H21 N3 O7 U |
SMILES | [U]12([n]3c(n[nH]c3c3c(O2)cccc3)c2c(O1)cccc2)([OH]C)([OH]C)(=O)=O.OC |
Title of publication | Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate |
Authors of publication | Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m61 - m63 |
a | 11.0737 ± 0.0011 Å |
b | 18.0705 ± 0.0017 Å |
c | 20.1156 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4025.3 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0424 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0559 |
Weighted residual factors for all reflections included in the refinement | 0.0614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018406.html
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