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Information card for entry 2233223
Preview
| Coordinates | 2233223.cif |
|---|---|
| Structure factors | 2233223.hkl |
| Original IUCr paper | HTML |
| Chemical name | {<i>N</i>-[1-(1<i>H</i>-Benzimidazol-2-yl)ethylidene-κ<i>N</i>^3^]- 3-(1<i>H</i>-imidazol-1-yl)propan-1-amine-κ<i>N</i>}dibromidomercury(II) |
|---|---|
| Formula | C15 H17 Br2 Hg N5 |
| Calculated formula | C15 H17 Br2 Hg N5 |
| SMILES | [Hg]1(Br)(Br)[N](=C(c2[n]1c1c([nH]2)cccc1)C)CCCn1cncc1 |
| Title of publication | {<i>N</i>-[1-(1<i>H</i>-Benzimidazol-2-yl)ethylidene-κ<i>N</i>^3^]-3-(1<i>H</i>-imidazol-1-yl)propan-1-amine-κ<i>N</i>}dibromidomercury(II) |
| Authors of publication | Wang, Qing; Fu, Zhong-Ye; Yu, Liang-Min |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m44 |
| a | 10.3054 ± 0.0004 Å |
| b | 10.668 ± 0.0004 Å |
| c | 16.603 ± 0.0005 Å |
| α | 90° |
| β | 100.844 ± 0.003° |
| γ | 90° |
| Cell volume | 1792.71 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (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 2/23/32. |
2233223.cif 2233223.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. |
2233223.cif 2233223.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233223.cif 2233223.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. | 2233223.cif 2233223.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233223.cif 2233223.hkl |
| 32282 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233223 via cif-deposit CGI script. |
2233223.cif |
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Users of the data should acknowledge the original authors of the
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