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Information card for entry 2018705
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| Coordinates | 2018705.cif |
|---|---|
| Structure factors | 2018705.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethylenediammonium bis(5-chloroquinolin-8-olate) |
|---|---|
| Formula | C20 H20 Cl2 N4 O2 |
| Calculated formula | C20 H20 Cl2 N4 O2 |
| SMILES | c1ccc2c(ccc(c2n1)[O-])Cl.[NH3+]CC[NH3+].c1ccc2c(ccc(c2n1)[O-])Cl |
| Title of publication | Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol |
| Authors of publication | Vranec, Peter; Potočňák, Ivan; Repovský, Peter |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m370 - m376 |
| a | 15.8369 ± 0.0005 Å |
| b | 6.8335 ± 0.0003 Å |
| c | 8.7459 ± 0.0004 Å |
| α | 90° |
| β | 96.087 ± 0.003° |
| γ | 90° |
| Cell volume | 941.16 ± 0.07 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196234 (current) | 2017-05-05 | cif/2 Fixing Z values and formulae |
2018705.cif 2018705.hkl |
| 180856 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/87. |
2018705.cif 2018705.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018705.cif 2018705.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018705.cif 2018705.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. | 2018705.cif 2018705.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018705.cif 2018705.hkl |
| 71116 | 2013-01-18 | cif/ Adding structures of 2018703, 2018704, 2018705, 2018706 via cif-deposit CGI script. |
2018705.cif |
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Users of the data should acknowledge the original authors of the
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