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Information card for entry 2018445
Preview
| Coordinates | 2018445.cif |
|---|---|
| Structure factors | 2018445.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-poly[bis(μ~4~-3-{[2-(3-hydroxy-2- oxidobenzylidene)hydrazinylidene]methyl}benzene-1,2- diolato)dimethanoltricopper(II)] |
|---|---|
| Formula | C30 H26 Cu3 N4 O10 |
| Calculated formula | C30 H26 Cu3 N4 O10 |
| SMILES | [Cu]123([OH]C)([OH]C)[O]4[Cu]56[N](=Cc7c(O5)c(O)ccc7)[N]1=Cc1c5[O]3[Cu]3(Oc5ccc1)Oc1c(cccc1O)C=[N]3[N]2=Cc1c4c(ccc1)O6 |
| Title of publication | A one-dimensional coordination polymer based on a di-Schiff base supported trinuclear Cu^II^ subunit |
| Authors of publication | Zhang, Liangliang; Liu, Fuling; Yuan, Shuai; Wang, Xiaoyang; Sun, Di |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m97 - m99 |
| a | 7.9019 ± 0.0005 Å |
| b | 10.2333 ± 0.0007 Å |
| c | 10.4441 ± 0.0007 Å |
| α | 112.281 ± 0.003° |
| β | 95.373 ± 0.004° |
| γ | 104.862 ± 0.003° |
| Cell volume | 737.93 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (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 2/01/84. |
2018445.cif 2018445.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. |
2018445.cif 2018445.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018445.cif 2018445.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. | 2018445.cif 2018445.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018445.cif 2018445.hkl |
| 55345 | 2012-05-05 | cif/ Adding structures of 2018445 via cif-deposit CGI script. |
2018445.cif |
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Users of the data should acknowledge the original authors of the
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