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Information card for entry 7036972
Preview
| Coordinates | 7036972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H74 Cl2 F24 Li4 Mn2 N2 O14 |
|---|---|
| Calculated formula | C60 H74 Cl2 F24 Li4 Mn2 N2 O14 |
| SMILES | c1cc(C)cc2C(C(F)(F)F)(C(F)(F)F)[O]([Li]3[O](CC[O]3C)C)[Mn]3(Cl)(N(c4c(C([O]3[Li]3[O](CC[O]3C)C)(C(F)(F)F)C(F)(F)F)cc(cc4)C)c12)[O](C)CC[O](C)[Mn]12(Cl)N(c3c(C(C(F)(F)F)(C(F)(F)F)[O]1[Li]1[O](CC[O]1C)C)cc(cc3)C)c1c(C([O]2[Li]2[O](CC[O]2C)C)(C(F)(F)F)C(F)(F)F)cc(cc1)C |
| Title of publication | Synthesis and characterization of a family of M(2+) complexes supported by a trianionic ONO(3-) pincer-type ligand: towards the stabilization of high-spin square-planar complexes. |
| Authors of publication | Pascualini, M. E.; Stoian, S. A.; Ozarowski, A.; Di Russo, N. V.; Thuijs, A. E.; Abboud, K. A.; Christou, G.; Veige, A. S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 46 |
| Pages of publication | 20207 - 20215 |
| a | 11.7492 ± 0.0006 Å |
| b | 12.6849 ± 0.0007 Å |
| c | 15.56 ± 0.0008 Å |
| α | 66.597 ± 0.0011° |
| β | 72.1457 ± 0.0011° |
| γ | 63.4597 ± 0.001° |
| Cell volume | 1880.28 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171123 (current) | 2015-12-09 | cif/ Updating files of 7036971, 7036972, 7036973 Original log message: Adding full bibliography for 7036971--7036973.cif. |
7036972.cif |
| 169878 | 2015-10-30 | cif/ Adding structures of 7036971, 7036972, 7036973 via cif-deposit CGI script. |
7036972.cif |
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structural data.