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Information card for entry 2221072
Preview
Coordinates | 2221072.cif |
---|---|
Structure factors | 2221072.hkl |
Original IUCr paper | HTML |
Chemical name | μ-2,2'-(Azinodimethylene)dibenzenesulfonato-bis[heptaaquaeuropium(III)] bis[2,2'-(azinodimethylene)dibenzenesulfonate] decahydrate |
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Formula | C42 H78 Eu2 N6 O42 S6 |
Calculated formula | C42 H78 Eu2 N6 O42 S6 |
SMILES | C(c1ccccc1S(=O)(=O)[O-])=NN=Cc1c(S(=O)(=O)[O-])cccc1.N(=Cc1c(S(=O)(=O)O[Eu]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])cccc1)N=Cc1c(S(=O)(=O)O[Eu]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])cccc1.O.O.O.O.O.C(c1c(cccc1)S(=O)(=O)[O-])=NN=Cc1c(S(=O)(=O)[O-])cccc1.O.O.O.O.O |
Title of publication | μ-2,2'-(Azinodimethylene)dibenzenesulfonato-bis[heptaaquaeuropium(III)] bis[2,2'-(azinodimethylene)dibenzenesulfonate] decahydrate |
Authors of publication | Tai, Xi-Shi |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 3 |
Pages of publication | m337 - m338 |
a | 12.5504 ± 0.0014 Å |
b | 18.611 ± 0.002 Å |
c | 15.6699 ± 0.0015 Å |
α | 90° |
β | 108.964 ± 0.002° |
γ | 90° |
Cell volume | 3461.4 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/2221072.html
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