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Information card for entry 2227040
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| Coordinates | 2227040.cif |
|---|---|
| Structure factors | 2227040.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido[1-(2-ethoxyphenyl)3-(4-nitrophenyl)triazenido]mercury(II) |
|---|---|
| Formula | C14 H13 Cl Hg N4 O3 |
| Calculated formula | C14 H13 Cl Hg N4 O3 |
| SMILES | [Hg]12(Cl)[O](c3c(N1N=[N]2c1ccc(N(=O)=O)cc1)cccc3)CC |
| Title of publication | Chlorido[1-(2-ethoxyphenyl)3-(4-nitrophenyl)triazenido]mercury(II) |
| Authors of publication | Melardi, Mohammad Reza; Roohi, Zeynab; Heidari, Nazanin; Rofouei, Mohammad Kazem |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | m975 |
| a | 13.4829 ± 0.0005 Å |
| b | 15.5746 ± 0.0006 Å |
| c | 7.7545 ± 0.0003 Å |
| α | 90° |
| β | 107.635 ± 0.0006° |
| γ | 90° |
| Cell volume | 1551.85 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0448 |
| Weighted residual factors for all reflections included in the refinement | 0.0467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.755 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181191 (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 2/22/70. |
2227040.cif 2227040.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227040.cif 2227040.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227040.cif 2227040.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. | 2227040.cif 2227040.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227040.cif 2227040.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227040.cif 2227040.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227040.cif |
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Users of the data should acknowledge the original authors of the
structural data.