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Information card for entry 2240441
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| Coordinates | 2240441.cif |
|---|---|
| Structure factors | 2240441.hkl |
| Original paper (by DOI) | HTML |
| Common name | 2-Methylpiperazine-1,4-diium bis(hydrogen maleate) |
|---|---|
| Chemical name | 2-Methylpiperazine-1,4-diium bis(<i>cis</i>-3-carboxyprop-2-enoate) |
| Formula | C13 H20 N2 O8 |
| Calculated formula | C13 H20 N2 O8 |
| SMILES | [NH2+]1C(C[NH2+]CC1)C.O=C(O)/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)O |
| Title of publication | Crystal structure of 2-methylpiperazine-1,4-diium bis(hydrogen maleate) |
| Authors of publication | Wecharine, Intissar; Valkonen, Arto; Rzaigui, Mohamed; Smirani Sta, Wajda |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o193 - o194 |
| a | 11.4678 ± 0.0009 Å |
| b | 11.4919 ± 0.0009 Å |
| c | 13.3404 ± 0.0013 Å |
| α | 71.692 ± 0.008° |
| β | 75.572 ± 0.008° |
| γ | 74.303 ± 0.007° |
| Cell volume | 1580.7 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240441.cif 2240441.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240441.cif 2240441.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240441.cif 2240441.hkl |
| 132172 | 2015-02-21 | cif/ hkl/ Adding structures of 2240441 via cif-deposit CGI script. |
2240441.cif 2240441.hkl |
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Users of the data should acknowledge the original authors of the
structural data.