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Information card for entry 7111494
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| Coordinates | 7111494.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Fe(ii)/binaphthyl bis(phenanthrenolate)imine |
|---|---|
| Chemical name | Fe(II)/binaphthyl bis(phenanthrenolate)imine |
| Formula | C51 H32 Cl2 Fe N2 O2 |
| Calculated formula | C51 H32 Cl2 Fe N2 O2 |
| SMILES | C(Cl)Cl.[Fe]123[N](c4c(c5c(cc4)cccc5)c4c([N]1=Cc1c(O3)c3c(cc1)ccc1ccccc31)ccc1ccccc41)=Cc1c(O2)c2c(cc1)ccc1ccccc21 |
| Title of publication | Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes |
| Authors of publication | Wiznycia, Alexander V.; Desper, John; Levy, Christopher J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2005 |
| Journal issue | 37 |
| Pages of publication | 4693 - 4695 |
| a | 13.1443 ± 0.0012 Å |
| b | 16.4557 ± 0.0015 Å |
| c | 18.9601 ± 0.0017 Å |
| α | 99.736 ± 0.006° |
| β | 104.006 ± 0.006° |
| γ | 94.156 ± 0.004° |
| Cell volume | 3894.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1632 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7111494.cif |
| 180228 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/14. |
7111494.cif |
| 96543 | 2014-01-29 | cif/ Adding structures of 7111492, 7111493, 7111494 via cif-deposit CGI script. |
7111494.cif |
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Users of the data should acknowledge the original authors of the
structural data.