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Information card for entry 2230206
Preview
| Coordinates | 2230206.cif |
|---|---|
| Structure factors | 2230206.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hydrazine-1,2-diium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate |
|---|---|
| Formula | C14 H24 N2 O16 S2 |
| Calculated formula | C14 H24 N2 O16 S2 |
| SMILES | c1c(S(=O)(=O)[O-])ccc(c1C(=O)O)O.[NH3+][NH3+].O.O.c1c(ccc(c1C(=O)O)O)S(=O)(=O)[O-].O.O |
| Title of publication | Hydrazine-1,2-diium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate |
| Authors of publication | Selvaraju, Devipriya; Venkatesh, Ranjithkumar; Sundararajan, Vairam |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o1236 - o1237 |
| a | 7.062 ± 0.0005 Å |
| b | 7.2069 ± 0.0004 Å |
| c | 11.5995 ± 0.0008 Å |
| α | 78.46 ± 0.003° |
| β | 75.806 ± 0.003° |
| γ | 77.379 ± 0.003° |
| Cell volume | 551.77 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219800 (current) | 2019-10-28 | cif/2 Fixing Z values and formulae |
2230206.cif 2230206.hkl |
| 181224 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/02. |
2230206.cif 2230206.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230206.cif 2230206.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230206.cif 2230206.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230206.cif 2230206.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230206.cif 2230206.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230206.cif 2230206.hkl |
| 20287 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230206 via cif-deposit CGI script. |
2230206.cif |
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Users of the data should acknowledge the original authors of the
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