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Information card for entry 2233059
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| Coordinates | 2233059.cif |
|---|---|
| Structure factors | 2233059.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile- κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I) |
|---|---|
| Formula | C20 H12 Ag N9 O3 |
| Calculated formula | C20 H12 Ag N9 O3 |
| SMILES | [Ag]12([n]3cc(ncc3c3[n]1cccc3)C#N)([n]1cc(ncc1c1[n]2cccc1)C#N)ON(=O)=O |
| Title of publication | (Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I) |
| Authors of publication | Zhang, Fan; Yang, Yong-Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1863 |
| a | 14 ± 0.003 Å |
| b | 12.133 ± 0.002 Å |
| c | 23.832 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4048.2 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233059.cif 2233059.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. |
2233059.cif 2233059.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233059.cif 2233059.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. | 2233059.cif 2233059.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233059.cif 2233059.hkl |
| 31954 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233059 via cif-deposit CGI script. |
2233059.cif |
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Users of the data should acknowledge the original authors of the
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