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Information card for entry 2231614
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| Coordinates | 2231614.cif |
|---|---|
| Structure factors | 2231614.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-{[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)phenyl]iminomethyl-κ<i>N</i>}-5-methylphenolato-κ<i>O</i>)chloridozinc(II) |
|---|---|
| Formula | C21 H16 Cl N3 O Zn |
| Calculated formula | C21 H16 Cl N3 O Zn |
| SMILES | [Zn]12(Cl)Oc3c(C=[N]2c2c(c4[n]1c1ccccc1[nH]4)cccc2)ccc(c3)C |
| Title of publication | (2-{[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)phenyl]iminomethyl-κ<i>N</i>}-5-methylphenolato-κ<i>O</i>)chloridozinc(II) |
| Authors of publication | Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1182 - m1183 |
| a | 8.6338 ± 0.0001 Å |
| b | 19.4952 ± 0.0002 Å |
| c | 10.9687 ± 0.0001 Å |
| α | 90° |
| β | 99.675 ± 0.001° |
| γ | 90° |
| Cell volume | 1819.97 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0771 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (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 2/23/16. |
2231614.cif 2231614.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. |
2231614.cif 2231614.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2231614.cif 2231614.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231614.cif 2231614.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. | 2231614.cif 2231614.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231614.cif 2231614.hkl |
| 27744 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231614 via cif-deposit CGI script. |
2231614.cif |
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Users of the data should acknowledge the original authors of the
structural data.