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Information card for entry 2215625
Preview
Coordinates | 2215625.cif |
---|---|
Structure factors | 2215625.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[piperazindiium [zincate(II)-bis(μ-pyridine-2,3-dicarboxylato)- κ^3^N,O^2^:O^3^;κ^3^O^3^:N,O^2^] tetrahydrate] |
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Formula | C18 H26 N4 O12 Zn |
Calculated formula | C18 H26 N4 O12 Zn |
SMILES | [Zn]12(OC(=O)c3[n]1cccc3C(=O)O[Zn]13(OC(=O)c4[n]3cccc4C(=O)[O-])(OC(=O)c3[n]1cccc3C(=O)O2)OC(=O)c1c(nccc1)C(=O)[O-]).O.O.O.O.O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1 |
Title of publication | <i>catena</i>-Poly[piperazindiium [zincate(II)-bis(μ-pyridine-2,3-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^] tetrahydrate] |
Authors of publication | Aghabozorg, Hossein; Daneshvar, Shirin; Motyeian, Elham; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 10 |
Pages of publication | m2468 - m2469 |
a | 6.6535 ± 0.0006 Å |
b | 8.417 ± 0.0008 Å |
c | 10.3399 ± 0.0009 Å |
α | 78.493 ± 0.002° |
β | 79.524 ± 0.002° |
γ | 71.284 ± 0.002° |
Cell volume | 533.07 ± 0.08 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 | 0.0296 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0695 |
Weighted residual factors for all reflections included in the refinement | 0.0712 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/2215625.html
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