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Information card for entry 7114223
Preview
| Coordinates | 7114223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H32 Cl4 Fe2 N4 Zn2 |
|---|---|
| Calculated formula | C40 H32 Cl4 Fe2 N4 Zn2 |
| SMILES | c1[n]2[Zn](Cl)([n]3ccc([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]5(c6cc[n](cc6)[Zn]([n]6ccc([c]78[cH]%12[cH]%13[cH]%14[cH]7[Fe]7%15%16%178%12%13%14[c]8([cH]%17[cH]%16[cH]%15[cH]78)c(cc2)c1)cc6)(Cl)Cl)[cH]4[cH]9[cH]%10[cH]%115)cc3)Cl |
| Title of publication | Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl ferrocene [Fe(η5-C5H4-1-C5H4N)2] ligand. Design, synthesis and structural characterization of the complexes [Fe(η5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+ |
| Authors of publication | Braga, Dario; Polito, Marco; Bracaccini, Marco; D'Addario, Daniela; Tagliavini, Emilio; Proserpio, Davide M.; Grepioni, Fabrizia |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 10 |
| Pages of publication | 1080 |
| a | 18.1586 ± 0.0008 Å |
| b | 14.4554 ± 0.0006 Å |
| c | 14.4458 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3791.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1202 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.1586 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180256 (current) | 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 7/11/42. |
7114223.cif |
| 116625 | 2014-06-13 | cif/ Adding structures of 7114223, 7114224, 7114225, 7114226 via cif-deposit CGI script. |
7114223.cif |
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