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Information card for entry 2236576
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| Coordinates | 2236576.cif |
|---|---|
| Structure factors | 2236576.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis{1-[(2-methylbenzimidazol-1-yl- κ<i>N</i>^3^)methyl]benzotriazole}zinc |
|---|---|
| Formula | C30 H26 Cl2 N10 Zn |
| Calculated formula | C30 H26 Cl2 N10 Zn |
| SMILES | c12n(c(C)[n]([Zn]([n]3c4ccccc4n(c3C)Cn3nnc4c3cccc4)(Cl)Cl)c1cccc2)Cn1nnc2c1cccc2 |
| Title of publication | Dichloridobis{1-[(2-methylbenzimidazol-1-yl-κ<i>N</i>^3^)methyl]benzotriazole}zinc |
| Authors of publication | Song, Lianqing; Zhao, Meihong; Cui, Guoshi; Gao, Jianghua; Lin, Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1179 |
| a | 15.721 ± 0.004 Å |
| b | 12.617 ± 0.004 Å |
| c | 14.728 ± 0.003 Å |
| α | 90° |
| β | 99.13 ± 0.03° |
| γ | 90° |
| Cell volume | 2884.3 ± 1.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1293 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236576.cif 2236576.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. |
2236576.cif 2236576.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236576.cif 2236576.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. | 2236576.cif 2236576.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236576.cif 2236576.hkl |
| 70156 | 2012-12-21 | cif/ Adding structures of 2236576 via cif-deposit CGI script. |
2236576.cif |
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Users of the data should acknowledge the original authors of the
structural data.