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Information card for entry 2240427
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| Coordinates | 2240427.cif |
|---|---|
| Structure factors | 2240427.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1-(Biphenyl-4-yl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]dichloridozinc |
|---|---|
| Formula | C30 H24 Cl2 N4 Zn |
| Calculated formula | C30 H24 Cl2 N4 Zn |
| SMILES | [Zn]([n]1cn(c2ccc(c3ccccc3)cc2)cc1)([n]1ccn(c2ccc(c3ccccc3)cc2)c1)(Cl)Cl |
| Title of publication | Crystal structure and luminescent properties of [1-(biphenyl-4-yl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]dichloridozinc |
| Authors of publication | Liu, Xiao-Xiao; Wang, Yuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 272 - 274 |
| a | 9.241 ± 0.0006 Å |
| b | 9.2595 ± 0.0005 Å |
| c | 16.4106 ± 0.001 Å |
| α | 87.77 ± 0.001° |
| β | 88.819 ± 0.001° |
| γ | 72.823 ± 0.001° |
| Cell volume | 1340.5 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240427.cif 2240427.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240427.cif 2240427.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240427.cif 2240427.hkl |
| 131805 | 2015-02-13 | cif/ hkl/ Adding structures of 2240427 via cif-deposit CGI script. |
2240427.cif 2240427.hkl |
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