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Information card for entry 2234852
Preview
Coordinates | 2234852.cif |
---|---|
Structure factors | 2234852.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[aqua(pyrazine-2-carboxamide- κ^2^<i>N</i>^1^,<i>O</i>)zinc]-μ-pyrazine-2-carboxamide- κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] dinitrate] |
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Formula | C10 H12 N8 O9 Zn |
Calculated formula | C10 H12 N8 O9 Zn |
SMILES | [Zn]12([n]3ccncc3C(N)=[O]1)([n]1ccncc1C(N)=[O]2)([OH2])[n]1cc[n]2[Zn]3([n]4ccncc4C(N)=[O]3)([O]=C(c2c1)N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | <i>catena</i>-Poly[[[aqua(pyrazine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)zinc]-μ-pyrazine-2-carboxamide-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] dinitrate] |
Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | m627 - m628 |
a | 10.4889 ± 0.0011 Å |
b | 15.7477 ± 0.0016 Å |
c | 9.9332 ± 0.001 Å |
α | 90° |
β | 97.664 ± 0.008° |
γ | 90° |
Cell volume | 1626.1 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1293 |
Residual factor for significantly intense reflections | 0.0761 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/2234852.html
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