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Information card for entry 2235805
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| Coordinates | 2235805.cif |
|---|---|
| Structure factors | 2235805.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxyate) monohydrate |
|---|---|
| Formula | C18 H30 N6 O9 |
| Calculated formula | C18 H30 N6 O9 |
| Title of publication | Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxyate) monohydrate |
| Authors of publication | Ying, Yi-Mei; Zhang, Tong; Yang, Guang-Rui; Ma, Ning |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | o2327 |
| a | 15.234 ± 0.004 Å |
| b | 16.859 ± 0.004 Å |
| c | 9.699 ± 0.003 Å |
| α | 90° |
| β | 112.991 ± 0.005° |
| γ | 90° |
| Cell volume | 2293.1 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1678 |
| Weighted residual factors for all reflections included in the refinement | 0.1824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181280 (current) | 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 2/23/58. |
2235805.cif 2235805.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. |
2235805.cif 2235805.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235805.cif 2235805.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. | 2235805.cif 2235805.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235805.cif 2235805.hkl |
| 65834 | 2012-09-06 | cif/ Adding structures of 2235805 via cif-deposit CGI script. |
2235805.cif |
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Users of the data should acknowledge the original authors of the
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