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Information card for entry 2230341
Preview
| Coordinates | 2230341.cif |
|---|---|
| Structure factors | 2230341.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,6-diaminopyridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) monohydrate |
|---|---|
| Formula | C24 H24 N8 O9 Zn |
| Calculated formula | C24 H24 N8 O9 Zn |
| SMILES | [Zn]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.[nH+]1c(N)cccc1N.[nH+]1c(N)cccc1N.O |
| Title of publication | Bis(2,6-diaminopyridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) monohydrate |
| Authors of publication | Tabatabaee, Masoumeh; Tahriri, Marjan; Tahriri, Mozhgan; Dušek, Michal; Fejfarová, Karla |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m769 - m770 |
| a | 8.294 ± 0.0003 Å |
| b | 13.2368 ± 0.0004 Å |
| c | 23.8063 ± 0.0007 Å |
| α | 90° |
| β | 104.995 ± 0.003° |
| γ | 90° |
| Cell volume | 2524.6 ± 0.14 Å3 |
| Cell temperature | 119.9 K |
| Ambient diffraction temperature | 120 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 | 0.0257 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.61 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181225 (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 2/23/03. |
2230341.cif 2230341.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2230341.cif 2230341.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230341.cif 2230341.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. | 2230341.cif 2230341.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230341.cif 2230341.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230341.cif 2230341.hkl |
| 22321 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230341 via cif-deposit CGI script. |
2230341.cif |
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Users of the data should acknowledge the original authors of the
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