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Information card for entry 2207940
Preview
Coordinates | 2207940.cif |
---|---|
Structure factors | 2207940.hkl |
Original IUCr paper | HTML |
Chemical name | Dihydronium bis(2,6-diaminopyridinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,O',N)dysprosate(III) dihydrate |
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Formula | C31 H34 Dy N9 O16 |
Calculated formula | C31 H34 Dy N9 O16 |
SMILES | c12cccc3C(=O)O[Dy]4567([n]23)([n]2c(cccc2C(=O)O7)C(=O)O4)(OC1=O)[n]1c(cccc1C(=O)O6)C(=O)O5.[nH+]1c(N)cccc1N.[OH2][H][OH2].O.[nH+]1c(N)cccc1N.O |
Title of publication | Dihydronium bis(2,6-diaminopyridinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>O</i>',<i>N</i>)dysprosate(III) dihydrate |
Authors of publication | Rafizadeh, M.; Amani, V. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 1 |
Pages of publication | m90 - m91 |
a | 9.654 ± 0.002 Å |
b | 10.579 ± 0.002 Å |
c | 17.972 ± 0.004 Å |
α | 90° |
β | 94.483 ± 0.004° |
γ | 90° |
Cell volume | 1829.9 ± 0.7 Å3 |
Cell temperature | 145 ± 2 K |
Ambient diffraction temperature | 145 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/2207940.html
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