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Information card for entry 7023164
Preview
| Coordinates | 7023164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H74 B4 Cl4 Fe2 N12 O12 |
|---|---|
| Calculated formula | C52 H74 B4 Cl4 Fe2 N12 O12 |
| SMILES | [B]12(O[N]3=C4C(CCCC4)=[N]4O[B]5(O[N]6=C7C(=[N](O1)[Fe]1346[N](O2)=C2C(=[N]1O5)CCCC2)CCCC7)c1ccc([B]23O[N]4=C5C(CCCC5)=[N]5O[B]6(O[N]7=C8C(CCCC8)=[N](O2)[Fe]2457[N](O6)=C4C(=[N]2O3)CCCC4)CCCC)cc1)CCCC.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Apically linked iron(II) α-dioximate and α-oximehydrazonate bis-clathrochelates: synthesis, structure and electrocatalytic properties. |
| Authors of publication | Belaya, Irina G.; Svidlov, Semen V.; Dolganov, Alexander V.; Zelinskii, Genrikh E.; Potapova, Tamara V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Bubnov, Yurii N.; Voloshin, Yan Z. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 37 |
| Pages of publication | 13667 - 13678 |
| a | 9.866 ± 0.002 Å |
| b | 13.363 ± 0.003 Å |
| c | 13.75 ± 0.005 Å |
| α | 110.849 ± 0.007° |
| β | 104.086 ± 0.007° |
| γ | 104.756 ± 0.005° |
| Cell volume | 1522.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1394 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| 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 |
|---|---|---|---|
| 179936 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/31. |
7023164.cif |
| 90453 | 2013-11-17 | cif/ Adding structures of 7023164 via cif-deposit CGI script. |
7023164.cif |
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