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Information card for entry 2018552
Preview
| Coordinates | 2018552.cif |
|---|---|
| Structure factors | 2018552.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-poly[[[di-μ-iodido-dicopper(I)]- bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']] 1,4-diiodobenzene monosolvate] |
|---|---|
| Formula | C32 H32 Cu2 I4 N4 |
| Calculated formula | C32 H32 Cu2 I4 N4 |
| SMILES | [I]1[Cu]2([n]3ccc(cc3)CCCc3ccncc3)[I][Cu]1([n]1ccc(cc1)CCCc1cc[n](cc1)[Cu]1[I][Cu]([I]1)[n]1ccc(cc1)CCCc1cc[n]2cc1)[n]1ccc(cc1)CCCc1ccncc1.Ic1ccc(I)cc1.Ic1ccc(I)cc1 |
| Title of publication | Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane |
| Authors of publication | Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m181 - m184 |
| a | 17.7 ± 0.004 Å |
| b | 14.604 ± 0.003 Å |
| c | 13.757 ± 0.003 Å |
| α | 90° |
| β | 109.53 ± 0.03° |
| γ | 90° |
| Cell volume | 3351.5 ± 1.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180854 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85. |
2018552.cif 2018552.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018552.cif 2018552.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018552.cif 2018552.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. | 2018552.cif 2018552.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018552.cif 2018552.hkl |
| 64177 | 2012-08-11 | cif/ Adding structures of 2018551, 2018552 via cif-deposit CGI script. |
2018552.cif |
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Users of the data should acknowledge the original authors of the
structural data.