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Information card for entry 2239372
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| Coordinates | 2239372.cif |
|---|---|
| Structure factors | 2239372.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1-benzyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)dichloridozinc |
|---|---|
| Formula | C28 H24 Cl2 N4 Zn |
| Calculated formula | C28 H24 Cl2 N4 Zn |
| SMILES | c1ccccc1Cn1c2ccccc2[n](c1)[Zn]([n]1c2c(cccc2)n(Cc2ccccc2)c1)(Cl)Cl |
| Title of publication | Bis(1-benzyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)dichloridozinc |
| Authors of publication | Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | m94 - m95 |
| a | 9.9819 ± 0.0004 Å |
| b | 10.0564 ± 0.0004 Å |
| c | 13.6641 ± 0.0006 Å |
| α | 99.539 ± 0.002° |
| β | 92.087 ± 0.002° |
| γ | 99.122 ± 0.002° |
| Cell volume | 1332.79 ± 0.1 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 | 0.0527 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239372.cif 2239372.hkl |
| 181312 | 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 2/23/93. |
2239372.cif 2239372.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2239372.cif 2239372.hkl |
| 110655 | 2014-04-19 | cif/ hkl/ Adding structures of 2239372 via cif-deposit CGI script. |
2239372.cif 2239372.hkl |
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