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Information card for entry 2019420
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| Coordinates | 2019420.cif |
|---|---|
| Structure factors | 2019420.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-iodido-bis[(2,5-bis{2-methyl-5-[2-(pyridin-3-yl-κ<i>N</i>)ethenyl]phenyl}-1,3,4-oxadiazole)copper(I)] |
|---|---|
| Formula | C60 H40 Cu2 I2 N8 O2 |
| Calculated formula | C60 H40 Cu2 I2 N8 O2 |
| SMILES | c1ccc2c[n]1[Cu]13([I][Cu]43([I]1)[n]1cccc(c1)C#Cc1ccc(C)c(c1)c1nnc(o1)c1c(C)ccc(c1)C#Cc1ccc[n]4c1)[n]1cccc(C#Cc3ccc(c(c4nnc(o4)c4c(ccc(C#C2)c4)C)c3)C)c1 |
| Title of publication | `0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI |
| Authors of publication | Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 31 - 36 |
| a | 9.432 ± 0.0015 Å |
| b | 10.508 ± 0.0018 Å |
| c | 14.238 ± 0.002 Å |
| α | 88.717 ± 0.002° |
| β | 85.154 ± 0.002° |
| γ | 67.344 ± 0.002° |
| Cell volume | 1297.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019420.cif 2019420.hkl |
| 180862 | 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 2/01/94. |
2019420.cif 2019420.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019420.cif 2019420.hkl |
| 104787 | 2014-03-11 | cif/ hkl/ Adding structures of 2019418, 2019419, 2019420 via cif-deposit CGI script. |
2019420.cif 2019420.hkl |
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Users of the data should acknowledge the original authors of the
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