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Information card for entry 2228504
Preview
Coordinates | 2228504.cif |
---|---|
Structure factors | 2228504.hkl |
Original IUCr paper | HTML |
Common name | Hexaaquazinc(II)bis[tris(5-carboxypyridine-6-carboxylato)zincate(II)] |
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Chemical name | Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)] |
Formula | C42 H36 N6 O30 Zn3 |
Calculated formula | C42 H36 N6 O30 Zn3 |
SMILES | c12c(ccc[n]2[Zn]23(OC1=O)([n]1c(c(ccc1)C(=O)O)C(=O)O2)[n]1c(c(ccc1)C(=O)O)C(=O)O3)C(=O)O.[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].c12c(ccc[n]2[Zn]23([n]4c(c(ccc4)C(=O)O)C(=O)O2)([n]2c(c(ccc2)C(=O)O)C(=O)O3)OC1=O)C(=O)O |
Title of publication | Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)] |
Authors of publication | Gharagozlou, Mehrnaz; Langer, Vratislav; Nemati, Andya |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | m1606 - m1607 |
a | 14.47 ± 0.004 Å |
b | 14.47 ± 0.004 Å |
c | 6.284 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1139.5 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.092 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.1423 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/2228504.html
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Users of the data should acknowledge the original authors of the
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