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Information card for entry 2226515
Preview
Coordinates | 2226515.cif |
---|---|
Structure factors | 2226515.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[bis(μ-3-aminopyrazine-2-carboxylato)- κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>;κ^3^<i>O</i>: <i>N</i>^1^,<i>O</i>)dilithium]-di-μ-aqua] |
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Formula | C10 H12 Li2 N6 O6 |
Calculated formula | C10 H12 Li2 N6 O6 |
SMILES | [Li]12([OH2])[n]3c(c(ncc3)N)C(=O)[O]1[Li]1([OH2])[n]3c(c(ncc3)N)C(=O)[O]12 |
Title of publication | <i>catena</i>-Poly[[bis(μ-3-aminopyrazine-2-carboxylato)-κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>^1^,<i>O</i>)dilithium]-di-μ-aqua] |
Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 7 |
Pages of publication | m744 - m745 |
a | 14.279 ± 0.003 Å |
b | 3.6 ± 0.0007 Å |
c | 13.3 ± 0.003 Å |
α | 90° |
β | 106.43 ± 0.03° |
γ | 90° |
Cell volume | 655.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0831 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1286 |
Weighted residual factors for all reflections included in the refinement | 0.1469 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/2226515.html
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Users of the data should acknowledge the original authors of the
structural data.