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Information card for entry 2019313
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Coordinates | 2019313.cif |
---|---|
Original IUCr paper | HTML |
Common name | sodium 4-nitroanthranilate dihydrate |
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Chemical name | Poly[μ-aqua-aqua(μ~3~-2-amino-4-nitrobenzoato)sodium(I)] |
Formula | C7 H9 N2 Na O6 |
Calculated formula | C7 H9 N2 Na O6 |
SMILES | [Na+].O.O.[O-]C(=O)c1c(N)cc(N(=O)=O)cc1 |
Title of publication | Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid |
Authors of publication | Smith, Graham |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 12 |
Pages of publication | 1472 - 1477 |
a | 6.611 ± 0.0006 Å |
b | 6.9443 ± 0.0007 Å |
c | 11.7453 ± 0.0011 Å |
α | 75.054 ± 0.008° |
β | 85.243 ± 0.007° |
γ | 67.249 ± 0.009° |
Cell volume | 480.35 ± 0.09 Å3 |
Cell temperature | 200 ± 1 K |
Ambient diffraction temperature | 200 ± 1 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 | 0.0509 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2019313.html
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Users of the data should acknowledge the original authors of the
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