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Information card for entry 4350667
Preview
| Coordinates | 4350667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103 H115 Cl13 Fe6 N46 O57 |
|---|---|
| Calculated formula | C95 H70 Cl5 Fe6 N45 O10 |
| SMILES | [Fe]12345OC(=N[N]2=C(N)c2[n]3cccc2)c2nc(cc(Cl)c2)C2O[Fe]367([O]8[Fe]9%10%11%12[O]%13[Fe]%14%15%16(OC(=N[N]%16=C(N)c%16[n]%15cccc%16)c%15nc(C%16=N[N]%17[Fe]%18%19(O%16)([O]%16[Fe]%20%21%22(OC(=N[N]%20=C(N)c%20[n]%21cccc%20)c%20nc(cc(Cl)c%20)C(=N[N]%12=C(N)c%12[n]%11cccc%12)O9)[O]1C(=N[N]5=C(N)c1[n]4cccc1)c1[n]%22c(C%16=N[N]%18=C(N)c4[n]%19cccc4)cc(Cl)c1)[n]1c(C=%17N)cccc1)cc(Cl)c%15)[N](N=C%13c1[n]%10c(C8=N[N]7=C(N)c4[n]6cccc4)cc(Cl)c1)=C(N)c1[n]%14cccc1)[N](N=2)=C(N)c1[n]3cccc1 |
| Title of publication | Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies. |
| Authors of publication | Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 4655 - 4668 |
| a | 16.265 ± 0.0014 Å |
| b | 22.783 ± 0.002 Å |
| c | 24.766 ± 0.002 Å |
| α | 71.147 ± 0.002° |
| β | 76.986 ± 0.002° |
| γ | 87.887 ± 0.002° |
| Cell volume | 8455.6 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.53 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239979 (current) | 2019-11-25 | cif/ Adding structures of 4350661, 4350662, 4350663, 4350664, 4350665, 4350666, 4350667 via cif-deposit CGI script. |
4350667.cif |
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Users of the data should acknowledge the original authors of the
structural data.