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Information card for entry 7031739
Preview
| Coordinates | 7031739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H60 B4 F4 Fe2 N12 O12 |
|---|---|
| Calculated formula | C60 H42 B4 F4 Fe2 N12 O12 |
| SMILES | [B]12(F)O[N]3=CC(=[N]4O[B]5(O[N]6=C(C(=[N](O1)[Fe]1346[N](O2)=C(C(=[N]1O5)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)F)C1C=[N]2O[B]3(F)O[N]4=C(C(c5ccccc5)=[N]5O[B]6(F)O[N]=1[Fe]1245[N](=C(C(=[N]1O3)c1ccccc1)c1ccccc1)O6)c1ccccc1 |
| Title of publication | Copper(i)- and copper(0)-promoted homocoupling and homocoupling-hydrodehalogenation reactions of dihalogenoclathrochelate precursors for C-C conjugated iron(ii) bis-cage complexes. |
| Authors of publication | Varzatskii, Oleg A.; Shul'ga, Sergey V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Voloshin, Yan Z. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 48 |
| Pages of publication | 17934 - 17948 |
| a | 16.233 ± 0.003 Å |
| b | 14.49 ± 0.002 Å |
| c | 33.279 ± 0.006 Å |
| α | 90° |
| β | 100.199 ± 0.003° |
| γ | 90° |
| Cell volume | 7704 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1116 |
| Residual factor for significantly intense reflections | 0.0891 |
| Weighted residual factors for significantly intense reflections | 0.2139 |
| Weighted residual factors for all reflections included in the refinement | 0.2226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
7031739.cif |
| 128374 | 2014-12-06 | cif/ Updating files of 7031738, 7031739, 7031740 Original log message: Adding full bibliography for 7031738--7031740.cif. |
7031739.cif |
| 120766 | 2014-07-25 | cif/ Adding structures of 7031738, 7031739, 7031740 via cif-deposit CGI script. |
7031739.cif |
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