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Information card for entry 2236688
Preview
| Coordinates | 2236688.cif |
|---|---|
| Structure factors | 2236688.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole- κ^2^<i>N</i>^1^,<i>N</i>^5^]diaquacobalt(II) bis(perchlorate) |
|---|---|
| Formula | C24 H24 Cl2 Co N12 O10 |
| Calculated formula | C24 H24 Cl2 Co N12 O10 |
| SMILES | c12c3[n](nc(c4ccccn4)n3N)[Co]3([n]2cccc1)([OH2])([n]1c(c2[n]3nc(c3ccccn3)n2N)cccc1)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]diaquacobalt(II) bis(perchlorate) |
| Authors of publication | Feng, Mi; Ji, Yu-Fei; Liang, Sheng-Li; Liu, Zhi-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1272 - m1273 |
| a | 8.5839 ± 0.0017 Å |
| b | 12.95 ± 0.003 Å |
| c | 14.975 ± 0.005 Å |
| α | 90° |
| β | 114.34 ± 0.02° |
| γ | 90° |
| Cell volume | 1516.7 ± 0.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| 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 | 0.0574 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181288 (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 2/23/66. |
2236688.cif 2236688.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. |
2236688.cif 2236688.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236688.cif 2236688.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. | 2236688.cif 2236688.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. |
2236688.cif 2236688.hkl |
| 70288 | 2012-12-21 | cif/ Adding structures of 2236688 via cif-deposit CGI script. |
2236688.cif |
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Users of the data should acknowledge the original authors of the
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