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Information card for entry 2233310
Preview
| Coordinates | 2233310.cif |
|---|---|
| Structure factors | 2233310.hkl |
| Original IUCr paper | HTML |
| Formula | C31 H15 Ag N6 O11 |
|---|---|
| Calculated formula | C31 H15 Ag N6 O11 |
| SMILES | [Ag]12([n]3cccc4C(C(c5ccc[n]1c5c34)=O)=O)[n]1cccc3C(=O)C(=O)c4ccc[n]2c4c13.O=C(c1c(c(cc(c1)N(=O)=O)N(=O)=O)O)[O-] |
| Title of publication | Bis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')silver(I) 2-hydroxy-3,5-dinitrobenzoate |
| Authors of publication | Wang, Shen-Tang; Che, Guang-Bo; Liu, Chun-Bo; Wang, Xing; Liu, Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m76 |
| a | 11.757 ± 0.002 Å |
| b | 18.297 ± 0.004 Å |
| c | 13.223 ± 0.003 Å |
| α | 90° |
| β | 103.91 ± 0.03° |
| γ | 90° |
| Cell volume | 2761.1 ± 1.1 Å3 |
| Cell temperature | 173.5 K |
| Ambient diffraction temperature | 173.5 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 | 0.1065 |
| Residual factor for significantly intense reflections | 0.0829 |
| Weighted residual factors for significantly intense reflections | 0.1504 |
| Weighted residual factors for all reflections included in the refinement | 0.1633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (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 2/23/33. |
2233310.cif 2233310.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. |
2233310.cif 2233310.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233310.cif 2233310.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. | 2233310.cif 2233310.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233310.cif 2233310.hkl |
| 32376 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233310 via cif-deposit CGI script. |
2233310.cif |
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Users of the data should acknowledge the original authors of the
structural data.