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Information card for entry 2227908
Preview
| Coordinates | 2227908.cif |
|---|---|
| Structure factors | 2227908.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[1-(2-ethoxyphenyl)-3-(4-nitrophenyl)triazenido]mercury(II) |
|---|---|
| Formula | C28 H26 Hg N8 O6 |
| Calculated formula | C28 H26 Hg N8 O6 |
| SMILES | c1c2c(ccc1)[O]([Hg]1(N(N=Nc3cccc(c3)N(=O)=O)c3c(cccc3)[O]1CC)N2N=Nc1cccc(c1)N(=O)=O)CC |
| Title of publication | Bis[1-(2-ethoxyphenyl)-3-(4-nitrophenyl)triazenido]mercury(II) |
| Authors of publication | Rofouei, Mohammad Kazem; Fereyduni, Ehsan; Attar Gharamaleki, Jafar; Bruno, Giuseppe; Amiri Rudbari, Hadi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1082 |
| a | 15.4637 ± 0.0003 Å |
| b | 18.6594 ± 0.0004 Å |
| c | 9.8008 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2827.96 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A b a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181200 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/79. |
2227908.cif 2227908.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2227908.cif 2227908.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227908.cif 2227908.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. | 2227908.cif 2227908.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227908.cif 2227908.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227908.cif 2227908.hkl |
| 4945 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227908 via cif-deposit CGI script. |
2227908.cif |
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Users of the data should acknowledge the original authors of the
structural data.