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Information card for entry 2217807
Preview
Coordinates | 2217807.cif |
---|---|
Structure factors | 2217807.hkl |
Original IUCr paper | HTML |
Chemical name | Guanidinium (aqua-2κO)(4-hydroxy-6-carboxypyridine-2-carboxylato- 2κ^3^O^2^,N,O^6^)(μ-4-hydroxypyridine-2,6-dicarboxylato- 1:2κ^4^O^2^,N,O^6^:O^2^)(4-hydroxypyridine-2,6-dicarboxylato- 1κ^3^O^2^,N,O^6^)dizinc(II) dihydrate |
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Formula | C22 H22 N6 O18 Zn2 |
Calculated formula | C22 H22 N6 O18 Zn2 |
SMILES | [Zn]12([n]3c(cc(O)cc3C(=[O]2)O)C(=O)O1)([O]1[Zn]234([n]5c(cc(O)cc5C(=O)O3)C(=O)O2)[n]2c(cc(O)cc2C1=O)C(=O)O4)[OH2].NC(=[NH2+])N.O.O |
Title of publication | Guanidinium (aqua-2κ<i>O</i>)(4-hydroxy-6-carboxypyridine-2-carboxylato-2κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(μ-4-hydroxypyridine-2,6-dicarboxylato-1:2κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^2^)(4-hydroxypyridine-2,6-dicarboxylato-1κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)dizincate(II) dihydrate |
Authors of publication | Aghabozorg, Hossein; Saadaty, Somayeh; Motyeian, Elham; Ghadermazi, Mohammad; Manteghi, Faranak |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 3 |
Pages of publication | m466 - m467 |
a | 9.1077 ± 0.0012 Å |
b | 9.29 ± 0.0012 Å |
c | 16.347 ± 0.003 Å |
α | 96.018 ± 0.004° |
β | 99.229 ± 0.004° |
γ | 91.76 ± 0.007° |
Cell volume | 1356.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0568 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0892 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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