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Information card for entry 2234265
Preview
| Coordinates | 2234265.cif |
|---|---|
| Structure factors | 2234265.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[(chloridozinc)-μ-5-(1-methyl-1<i>H</i>-benzimidazol- 2-yl-κ<i>N</i>^3^)-1,2,3-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^] |
|---|---|
| Formula | C10 H8 Cl N5 Zn |
| Calculated formula | C10 H8 Cl N5 Zn |
| SMILES | [Zn]1(Cl)([n]2c(n(c3c2cccc3)C)c2n1nnc2)n1n[n]2[Zn](Cl)[n]3c(n(c4c3cccc4)C)c2c1 |
| Title of publication | <i>catena</i>-Poly[(chloridozinc)-μ-5-(1-methyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-1,2,3-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^] |
| Authors of publication | Sun, Chen-Guang; Song, Ji-Rong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m520 |
| a | 16.0822 ± 0.0001 Å |
| b | 16.0822 ± 0.0001 Å |
| c | 9.0114 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2330.68 ± 0.06 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234265.cif 2234265.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. |
2234265.cif 2234265.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234265.cif 2234265.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. | 2234265.cif 2234265.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234265.cif 2234265.hkl |
| 55532 | 2012-05-05 | cif/ Adding structures of 2234265 via cif-deposit CGI script. |
2234265.cif |
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Users of the data should acknowledge the original authors of the
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