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Information card for entry 4327814
Preview
| Coordinates | 4327814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H88 Br6 Co2 Fe2 N10 O16 |
|---|---|
| Calculated formula | C96 H88 Br6 Co2 Fe2 N10 O16 |
| SMILES | c1(cc2c(O[Co]3456[N](c7c(C[O]5[Fe]589([N](=Cc%10c(O5)ccc(c%10)Br)c5c(C[O]8[Fe]8%10%11([N](=Cc%12c(O%11)ccc(Br)c%12)c%11c(C[O]9%10)cccc%11)[O]9Cc%10c([N]%11=Cc%12c(O[Co]%13%149%11[N](c9c(C[O]8%14)cccc9)=Cc8cc(Br)ccc8O%13)ccc(Br)c%12)cccc%10)cccc5)[O]4Cc4c([N]3=Cc3c(O6)ccc(Br)c3)cccc4)cccc7)=C2)cc1)Br.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C |
| Title of publication | Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear {CoIII2FeIII2(μ-O)6} and Octanuclear {CoIII4FeIII4(μ-O)14} Cores: Direct Synthesis, Crystal Structures, and Magnetic Properties |
| Authors of publication | Eduard N. Chygorin; Oksana V. Nesterova; Julia A. Rusanova; Vladimir N. Kokozay; Volodymyr V. Bon; Roman Boča; Andrew Ozarowski |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 386 - 396 |
| a | 11.161 ± 0.0007 Å |
| b | 14.8168 ± 0.001 Å |
| c | 15.928 ± 0.0011 Å |
| α | 95.336 ± 0.005° |
| β | 101.305 ± 0.005° |
| γ | 110.023 ± 0.005° |
| Cell volume | 2389.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.2435 |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179381 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78. |
4327814.cif |
| 76736 | 2013-03-21 | cif/ Adding structures of 4327814 via cif-deposit CGI script. |
4327814.cif |
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Users of the data should acknowledge the original authors of the
structural data.