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Information card for entry 7031744
Preview
| Coordinates | 7031744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H48 Br8 Cu2 N12 O4 |
|---|---|
| Calculated formula | C52 H48 Br8 Cu2 N12 O4 |
| SMILES | c12c(cc(cc1Br)Br)C=[N]1CCCn3c[n](cc3)[Cu]34([N](=Cc5c(c(cc(c5)Br)Br)O3)CCCn3c[n]([Cu]51([N](=Cc1c(O5)c(Br)cc(Br)c1)CCCn1ccnc1)O2)cc3)[N](=Cc1c(O4)c(Br)cc(Br)c1)CCCn1ccnc1 |
| Title of publication | Dinuclear Cu(ii) complexes based on two flexible Schiff-base ligands and one unusual in situ formed diphenolate 2,6-piperidin-4-one derivative. |
| Authors of publication | Dai, Yuan; Wang, Yin-Ge; Geng, Jiao; Peng, Yu-Xin; Huang, Wei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13831 - 13834 |
| a | 12.949 ± 0.01 Å |
| b | 14.283 ± 0.012 Å |
| c | 19.337 ± 0.012 Å |
| α | 90° |
| β | 114.18 ± 0.04° |
| γ | 90° |
| Cell volume | 3263 ± 4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1841 |
| Residual factor for significantly intense reflections | 0.0939 |
| Weighted residual factors for significantly intense reflections | 0.2058 |
| Weighted residual factors for all reflections included in the refinement | 0.2451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031744.cif |
| 123481 | 2014-09-08 | cif/ Updating files of 7031743, 7031744, 7031745 Original log message: Adding full bibliography for 7031743--7031745.cif. |
7031744.cif |
| 120771 | 2014-07-25 | cif/ Adding structures of 7031743, 7031744, 7031745 via cif-deposit CGI script. |
7031744.cif |
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