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Information card for entry 2239450
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| Coordinates | 2239450.cif |
|---|---|
| Structure factors | 2239450.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate |
|---|---|
| Formula | C34 H20 N6 O12 |
| Calculated formula | C34 H20 N6 O12 |
| Title of publication | Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate |
| Authors of publication | Zhong, Kai-Long; Ni, Chao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o256 - o257 |
| a | 8.5937 ± 0.0006 Å |
| b | 9.8302 ± 0.0007 Å |
| c | 18.87 ± 0.0014 Å |
| α | 77.81 ± 0.002° |
| β | 83.622 ± 0.002° |
| γ | 68.025 ± 0.002° |
| Cell volume | 1444.04 ± 0.18 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0935 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1783 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239450.cif 2239450.hkl |
| 181313 | 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 2/23/94. |
2239450.cif 2239450.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. |
2239450.cif 2239450.hkl |
| 110733 | 2014-04-19 | cif/ hkl/ Adding structures of 2239450 via cif-deposit CGI script. |
2239450.cif 2239450.hkl |
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Users of the data should acknowledge the original authors of the
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