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Information card for entry 2230626
Preview
| Coordinates | 2230626.cif |
|---|---|
| Structure factors | 2230626.hkl |
| Original IUCr paper | HTML |
| Chemical name | [3,3'-Dihydroxy-3,3'-bis(pyridin-3-yl-κ<i>N</i>)-1,1'-(pyridine-2,6- diyl)dipropan-1-one](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I) |
|---|---|
| Formula | C21 H15 Ag N4 O7 |
| Calculated formula | C21 H15 Ag N4 O7 |
| SMILES | [n]12[Ag](ON(=O)=O)[n]3cc(C(=CC(=O)c4cccc(n4)C(=O)C=C(O)c(c2)ccc1)O)ccc3 |
| Title of publication | [3,3'-Dihydroxy-3,3'-bis(pyridin-3-yl-κ<i>N</i>)-1,1'-(pyridine-2,6-diyl)dipropan-1-one](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I) |
| Authors of publication | Dong, Jian-Yu; You, Tian-Pa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m905 |
| a | 6.5972 ± 0.0014 Å |
| b | 12.572 ± 0.003 Å |
| c | 12.731 ± 0.003 Å |
| α | 101.256 ± 0.003° |
| β | 101.61 ± 0.003° |
| γ | 96.454 ± 0.003° |
| Cell volume | 1001.7 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181228 (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 2/23/06. |
2230626.cif 2230626.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. |
2230626.cif 2230626.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230626.cif 2230626.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. | 2230626.cif 2230626.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230626.cif 2230626.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230626.cif 2230626.hkl |
| 22933 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230626 via cif-deposit CGI script. |
2230626.cif |
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Users of the data should acknowledge the original authors of the
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