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Information card for entry 2231867
Preview
| Coordinates | 2231867.cif |
|---|---|
| Structure factors | 2231867.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[dichloridozinc(II)]-μ- 1,4-bis(pyridin-2-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>'] |
|---|---|
| Formula | C18 H16 Cl2 N2 O2 Zn |
| Calculated formula | C18 H16 Cl2 N2 O2 Zn |
| SMILES | [Zn](Cl)(Cl)([n]1c(COc2ccc(cc2)OCc2ccccn2)cccc1)[n]1ccccc1COc1ccc(cc1)OCc1cccc[n]1[Zn](Cl)Cl |
| Title of publication | <i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,4-bis(pyridin-2-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>'] |
| Authors of publication | Liu, Ying; Zhang, Hong-Sen; Hu, Ming-Xing; Hou, Guang-Feng; Gao, Jin-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1373 |
| a | 8.8797 ± 0.0018 Å |
| b | 10.458 ± 0.002 Å |
| c | 10.561 ± 0.002 Å |
| α | 87.55 ± 0.03° |
| β | 73.5 ± 0.03° |
| γ | 72.31 ± 0.03° |
| Cell volume | 894.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181240 (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 2/23/18. |
2231867.cif 2231867.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. |
2231867.cif 2231867.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231867.cif 2231867.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. | 2231867.cif 2231867.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231867.cif 2231867.hkl |
| 29098 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231867 via cif-deposit CGI script. |
2231867.cif |
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Users of the data should acknowledge the original authors of the
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