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Information card for entry 2208661
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Coordinates | 2208661.cif |
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Original IUCr paper | HTML |
Common name | 4-nitrophenyl phosphate disodium hexahydrate |
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Chemical name | disodium 4-nitrophenyl phosphate hexahydrate |
Formula | C6 H16 N Na2 O12 P |
Calculated formula | C6 H16 N Na2 O12 P |
SMILES | c1(ccc(cc1)N(=O)=O)OP(=O)([O-])[O-].[Na+].[Na+].O.O.O.O.O.O |
Title of publication | Disodium 4-nitrophenylphosphate hexahydrate |
Authors of publication | Matthew D. Zimmerman; Maksymilian Chruszcz; Marcin Cymborowski; Heping Zheng; Wladek Minor |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 4 |
Pages of publication | m884 - m886 |
a | 19.007 ± 0.001 Å |
b | 11.982 ± 0.001 Å |
c | 13.492 ± 0.001 Å |
α | 90° |
β | 103.708 ± 0.001° |
γ | 90° |
Cell volume | 2985.2 ± 0.4 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0755 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1361 |
Weighted residual factors for all reflections included in the refinement | 0.1464 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71074 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2208661.html
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